173340-23-3 (((1-苄基哌啶-4-基)甲基)氨基甲酸叔丁酯,tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate)

快速询单

结构式：

((1-苄基哌啶-4-基)甲基)氨基甲酸叔丁酯MOL文件

CAS号：

173340-23-3

中文名称：

((1-苄基哌啶-4-基)甲基)氨基甲酸叔丁酯

英文名称：

tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate

分子式：

C₁₈H₂₈N₂O₂

分子量：

304.427124977112

((1-苄基哌啶-4-基)甲基)氨基甲酸叔丁酯(173340-23-3)名称与标识符

名称

中文别名：

((1-苄基哌啶-4-基)甲基)氨基甲酸叔丁酯;

英文别名：

tert-Butyl ((1-benzylpiperidin-4-yl)methyl)carbamate;Carbamic acid,N-[[1-(phenylmethyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester;tert-butyl (1-benzylpiperidin-4-yl)methylcarbamate;tert-butyl N-[(1-benzyl-4-piperidinyl)methyl]carbamate;tert-butyl N-[(1-benzylpiperidin-4-yl)methyl]carbamate;HMS1443K13;tert-Butyl,(1-benzylpiperidin-4-yl)methyl)carbamate;BUTTPARK 99\06-59;IDI1_015844;AKOS022181073;tert-Butyl [(1-benzylpiperidin-4-yl)methyl]carbamate;173340-23-3;SCHEMBL3052457;MFCD04123925;tert-Butyl N-((1-benzyl-4-piperidinyl)methyl)carbamate;SOXSDIKJHXTJEP-UHFFFAOYSA-N;FT-0703891;DTXSID60384974;SR-01000003836-1;1-benzyl-4-tertbutyloxycarbonylaminomethylpiperidine;SR-01000003836;A881778;Maybridge3_004457;tert-butyl((1-benzylpiperidin-4-yl)methyl)carbamate;(1-benzyl-piperidin-4-ylmethyl)-carbamic acid tert-butyl ester;MS-22215;Carbamic acid, N-[[1-(phenylmethyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester;DB-064906;

标识符

MDL：

MFCD04123925

InChIKey：

SOXSDIKJHXTJEP-UHFFFAOYSA-N

Inchi：

1S/C18H28N2O2/c1-18(2,3)22-17(21)19-13-15-9-11-20(12-10-15)14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21)

SMILES：

O(C(C)(C)C)C(NCC1CCN(CC2C=CC=CC=2)CC1)=O

((1-苄基哌啶-4-基)甲基)氨基甲酸叔丁酯(173340-23-3)物化性质

实验特性

LogP : 3.75210
PSA : 41.57000
折射率 : 1.522
沸点 : 415.5°Cat760mmHg
闪点 : 205.1°C
密度 : 1.043

计算特性

精确分子量 : 304.21500
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 7
同位素质量 : 304.215
重原子数量 : 22
复杂度 : 338
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 : 0
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） : 3.2
拓扑分子极性表面积 : 41.6Å²

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((1-苄基哌啶-4-基)甲基)氨基甲酸叔丁酯(173340-23-3) MSDS

基础信息

Name:	tert-Butyl n-[(1-benzyl-4-piperidinyl)methyl]carbamate Material Safety Data Sheet
Synonym:	None Known
CAS:	173340-23-3

Section 1 - Chemical Product ? MSDS Name:tert-Butyl n-[(1-benzyl-4-piperidinyl)methyl]carbamate Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
173340-23-3	tert-Butyl n-[(1-benzyl-4-piperidinyl)	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 173340-23-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 100 - 101 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H28N2O2
Molecular Weight: 304.44

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Acid chlorides, reducing agents, strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 173340-23-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl n-[(1-benzyl-4-piperidinyl)methyl]carbamate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
? Ecotoxicity:
Fish: Pseudomonas putida:

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8
UN Number: 2923
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8
UN Number: 2923
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8
UN Number: 2923
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 173340-23-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 173340-23-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 173340-23-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A