77152-97-7 (3-氨基-3-巯基丙基氨基甲酸叔丁酯,tert-Butyl N-(3-Amino-3-thioxopropyl)carbamate)

CAS号:
77152-97-7
中文名称:
3-氨基-3-巯基丙基氨基甲酸叔丁酯
英文名称:
tert-Butyl N-(3-Amino-3-thioxopropyl)carbamate
分子式:
C8H16N2O2S
分子量:
204.289840698242

3-氨基-3-巯基丙基氨基甲酸叔丁酯(77152-97-7)名称与标识符

名称

中文别名:
3-叔丁氧基羰基氨基硫代丙酰胺;4-噻唑乙酸乙酯;n-(3-氨基-3-硫代氧基丙烷)甲酸叔丁酯;3-BOC氨基硫代丙酰胺;3-氨基-3-巯基丙基氨基甲酸叔丁酯;
英文别名:
Carbamic acid,N-(3-amino-3-thioxopropyl)-, 1,1-dimethylethyl ester;3-(TERT-BUTOXYCARBONYLAMINO)THIOPROPIONAMIDE;tert-Butyl 3-amino-3-thioxopropylcarbamate;tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate;tert-Butyl N-(3-amino-3-thioxopropyl)carbamate;3-((Boc)amino)propanethioamide;3-(tert-Butyloxycarbonylamino)propanthiosaeureamid;3-[(tert-Butoxycarbonyl)amino]propanethioamide;3-<(tert-butoxycarbonyl)amino>propiothioamide;N-Boc-3-aminopropanethioamide;tert-Butyl (3-amino-3-thioxoprop-1-yl)carbamate;tert-butyl N-(2-carbamothioylethyl)carbamate;NCI60_019221;tert. butyl N(3-amino-3-thioxopropyl)carbamate;CS-0100892;SY173678;A851601;tert-Butyl(3-amino-3-thioxopropyl)carbamate;AKOS009157879;SCHEMBL1788759;EN300-53899;tert-Butyl (3-amino-3-sulfanylidenepropyl)carbamate;3-(Boc-amino)propanethioamide;s12103;t-Butyl N-(3-amino-3-thioxopropyl)carbamate;tert.butyl N(3-amino-3-thioxopropyl)carbamate;tert-Butyl (3-amino-3-thioxopropyl)carbamate;OBDMXQCRRWGEQM-UHFFFAOYSA-N;NSC-655427;CHEMBL1996366;tert-butyl 2-thiocarbamoylethylcarbamate;(2-thiocarbamoyl-ethyl)-carbamic acid tert-butyl ester;DTXSID90370860;tert-butyl N-(3-amino-3-thioxo-propyl)carbamate;AS-10126;77152-97-7;MFCD02180883;1,1-dimethylethyl (3-amino-3-thioxopropyl)carbamate;tert-Butyl 3-amino-3-thioxopropylcarbamate, AldrichCPR;NSC655427;FT-0641637;DB-056178;3-Amino-1-(Boc-amino)-3-thioxopropane;

标识符

MDL:
MFCD02180883
InChIKey:
OBDMXQCRRWGEQM-UHFFFAOYSA-N
Inchi:
1S/C8H16N2O2S/c1-8(2,3)12-7(11)10-5-4-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,11)
SMILES:
S=C(CCNC(=O)OC(C)(C)C)N

3-氨基-3-巯基丙基氨基甲酸叔丁酯(77152-97-7)物化性质

实验特性

  • LogP : 2.27850
  • PSA : 96.44000
  • 折射率 : 1.52
  • 熔点 : 109-112 ºC
  • 密度 : 1.124

计算特性

  • 精确分子量 : 204.09300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 204.093
  • 重原子数量 : 13
  • 复杂度 : 199
  • 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) : 0.4
  • 拓扑分子极性表面积 : 96.4A^2

3-氨基-3-巯基丙基氨基甲酸叔丁酯(77152-97-7)安全信息

3-氨基-3-巯基丙基氨基甲酸叔丁酯(77152-97-7)海关数据

海关编码:
2930909090
海关数据:

中国海关编码:

2930909090

概述:

2930909090. 其他有机硫化合物. 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:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-氨基-3-巯基丙基氨基甲酸叔丁酯(77152-97-7) MSDS

基础信息

Name:tert-Butyl N-(3-amino-3-thioxopropyl)carbamate, 97% Material Safety Data Sheet
Synonym:
CAS:77152-97-7
Section 1 - Chemical Product MSDS Name: tert-Butyl N-(3-amino-3-thioxopropyl)carbamate, 97% Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
77152-97-7tert-Butyl N-(3-amino-3-thioxopropyl)c97%unlisted
+++++
Hazard Symbols: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
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.
SECTION 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 77152-97-7: Personal Protective Equipment
Eyes:
Not available.
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: 108 - 112 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H16N2O2S
Molecular Weight: 204
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 77152-97-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl N-(3-amino-3-thioxopropyl)carbamate - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 77152-97-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 77152-97-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 77152-97-7 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/21/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A