69478-77-9 (3-二甲氨基吡咯烷,1-Benzyl-N,N-dimethylpyrrolidin-3-amine)

CAS号:
69478-77-9
中文名称:
3-二甲氨基吡咯烷
英文名称:
1-Benzyl-N,N-dimethylpyrrolidin-3-amine
安全信息:
分子式:
C13H20N2
分子量:
204.311303138733

3-二甲氨基吡咯烷(69478-77-9)名称与标识符

名称

中文别名:
1-苄基-3-(二甲氨基)吡咯烷;1-Benzyl-3-(dimethylamino)pyrrolidine 1-苄基-3-(二甲氨基)吡咯烷;1-benzyl-3-(二甲基氨基)吡咯烷;1-苯甲基-3-(二甲胺)吡咯烷;3-二甲氨基吡咯烷;
英文别名:
1-Benzyl-N,N-dimethylpyrrolidin-3-amine;1-Benzyl-3-(dimethylamino)pyrrolidine;3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)-;N,N-dimethyl-1-(phenylmethyl)-3-Pyrrolidinamine;(S)-1-Benzyl-N,N-dimethylpyrrolidin-3-amine;PubChem11212;VZ21192;AK151294;AX8237401;B1559;B80100;478B779;1-Benzyl-N,N-dimethyl-3-pyrrolidinamine, AldrichCPR;(3R)-1-BENZYL-N,N-DIMETHYLPYRROLIDIN-3-AMINE;AKOS015839148;CS-0322623;FT-0641240;MFCD00191304;FT-0770852;A9190;SCHEMBL13634431;D88827;BS-44009;69478-77-9;DTXSID60434145;(R)-1-Benzyl-3-dimethylaminopyrrolidine;SY117428;DB-024597;MFCD11114423;

标识符

MDL:
MFCD00191304
InChIKey:
SOTUMZCQANFRAM-UHFFFAOYSA-N
Inchi:
1S/C13H20N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
SMILES:
N1(CC2C=CC=CC=2)CCC(C1)N(C)C

3-二甲氨基吡咯烷(69478-77-9)物化性质

实验特性

  • LogP : 1.76040
  • PSA : 6.48000
  • 折射率 : 1.5210-1.5240
  • 沸点 : 117°C/2.3mmHg
  • 颜色与性状 : 液体。
  • 溶解性 : 未确定。
  • 密度 : 0.97

计算特性

  • 精确分子量 : 204.16300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 204.162648646g/mol
  • 重原子数量 : 15
  • 复杂度 : 185
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 6.5

3-二甲氨基吡咯烷(69478-77-9)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-二甲氨基吡咯烷(69478-77-9)参考资料

Reaxys RN:
472836
Beilstein:
B152573
PubChem CID:

3-二甲氨基吡咯烷(69478-77-9) MSDS

基础信息

  1-Benzyl-3-(dimethylamino)pyrrolidine      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        1-Benzyl-3-(dimethylamino)pyrrolidine    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statement        Causes severe skin burns and eye damage    
  Precautionary statements
  [Prevention]        Do not breathe.    
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store locked up.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        1-Benzyl-3-(dimethylamino)pyrrolidine    
    >96.0%(GC)
  Percent:
  CAS Number:        69478-77-9    
  Chemical Formula:        C13H20N2    
  1-Benzyl-3-(dimethylamino)pyrrolidine

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    induce vomiting.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Extinguishing media not to Water (It may scatter and spread fire.)
  be used:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol
    will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection:        Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied    
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.    
  1-Benzyl-3-(dimethylamino)pyrrolidine

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        clear    
    Very pale yellow - Yellow
  Color:
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        117 °C/0.3kPa    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
    No data available
  Upper:
  Density:        0.97    
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  Products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.
  1-Benzyl-3-(dimethylamino)pyrrolidine

Section 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.    
  UN-No:        2735    
  Proper shipping name:        Polyamines, liquid, corrosive, n.o.s.    
  Packing group:        III    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A