172695-24-8 (奥贝胆酸杂质,Carbamic acid,N-[(1S)-1-(cyanomethyl)-3-methylbutyl]-, 1,1-dimethylethyl ester)

CAS号:
172695-24-8
中文名称:
奥贝胆酸杂质
英文名称:
Carbamic acid,N-[(1S)-1-(cyanomethyl)-3-methylbutyl]-, 1,1-dimethylethyl ester
分子式:
C12H22N2O2
分子量:
226.315283298492

奥贝胆酸杂质(172695-24-8)名称与标识符

名称

中文别名:
(S)-N-BOC-2-氨基-4-甲基戊烷氰;(S)-N-逆丁氧羰基-2-氨基-3-甲基戊烷氰;奥贝胆酸杂质;
英文别名:
Carbamic acid,N-[(1S)-1-(cyanomethyl)-3-methylbutyl]-, 1,1-dimethylethyl ester;(S)-N-BOC-2-AMINO-4-METHYLPENTYL CYANIDE;L-N-Me-phenylalanine;L-N-methylphenylalanine;methyl-DL-phenylalanine;N-Me-L-Phe;N-Me-Phe;N-Me-Phe-OH;N-Methyl-L-phenylalanine;N-Methylphenylalanine;(S)-N-TERT-BUTOXYCARBONYL-2-AMINO-3-METHYLPENTYL CYANIDE;(S)-N-BOC-2-Amino-4-methylpentyl cyanide,97%;(3S)-3-(t-butoxycarbonylamino)-5-methylhexanenitrile;MBYHFWNDSROMGX-SNVBAGLBSA-N;172695-24-8;tert-butyl N-[(2S)-1-cyano-4-methylpentan-2-yl]carbamate;SCHEMBL5496903;MFCD06658951;

标识符

InChIKey:
MBYHFWNDSROMGX-SNVBAGLBSA-N
Inchi:
1S/C12H22N2O2/c1-9(2)8-10(6-7-13)14-11(15)16-12(3,4)5/h9-10H,6,8H2,1-5H3,(H,14,15)/t10-/m1/s1
SMILES:
O(C(N[C@H](CC#N)CC(C)C)=O)C(C)(C)C

奥贝胆酸杂质(172695-24-8)物化性质

实验特性

  • LogP : 3.23038
  • PSA : 62.12000
  • 熔点 : 75-77 °C
  • 颜色与性状 : 白色固体
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 226.16800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 6
  • 同位素质量 : 226.168127949g/mol
  • 重原子数量 : 16
  • 复杂度 : 271
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : 2.4
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 62.1

奥贝胆酸杂质(172695-24-8)安全信息

奥贝胆酸杂质(172695-24-8)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
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奥贝胆酸杂质(172695-24-8) MSDS

基础信息

Name:(s)-n-boc-2-amino-4-methylpentyl cyanide Material Safety Data Sheet
Synonym:(S)-N-tert-Butoxycarbonyl-2-amino-3-methylpentyl cyanide
CAS:172695-24-8
Section 1 - Chemical Product MSDS Name: (s)-n-boc-2-amino-4-methylpentyl cyanide Material Safety Data Sheet
Synonym: (S)-N-tert-Butoxycarbonyl-2-amino-3-methylpentyl cyanide
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
172695-24-8(S)-N-BOC-2-Amino-4-methylpentyl cyaniunlisted
+++++
Hazard Symbols: XN
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:


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# 172695-24-8: 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: 75 - 77 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >250 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H22N2O2
Molecular Weight: 226,32
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 172695-24-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-N-BOC-2-Amino-4-methylpentyl cyanide - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 172695-24-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 172695-24-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 172695-24-8 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 10/08/2004 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