161671-34-7 (1-羟基吡啶硫酮钠盐,(R)-tert-Butyl 3-amino-3-phenylpropanoate)

快速询单

结构式：

1-羟基吡啶硫酮钠盐MOL文件

CAS号：

161671-34-7

中文名称：

1-羟基吡啶硫酮钠盐

英文名称：

(R)-tert-Butyl 3-amino-3-phenylpropanoate

分子式：

C₁₃H₁₉NO₂

分子量：

221.29546380043

1-羟基吡啶硫酮钠盐(161671-34-7)名称与标识符

名称

中文别名：

(3R)-3-氨基-3-苯基丙酸叔丁酯;1-羟基吡啶硫酮钠盐;

英文别名：

Benzenepropanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)-;TERT-BUTYL (3R)-3-AMINO-3-PHENYLPROPANOATE;TBUTYL-(3R)-3-AMINO-3-PHENYLPROPANOATE;(R)-tert-Butyl 3-aMino-3-phenylpropanoate;(R)-1,1-DIMETHYLETHYL-3-AMINO 3-PHENYLPROPANOATE;(3R)-3-Amino-3-phenyl-propionic acid tert-butyl ester;tert-Butyl (3R)-3-amino-3-phenylpropanoate,97%;MFCD00798309;161671-34-7;SCHEMBL469053;Tert-butyl (R)-3-amino-3-phenylpropanoate;CS-0272760;TERT-BUTYL-(3R)-3-AMINO-3-PHENYLPROPANOATE;TYYCBAISLMKLMT-LLVKDONJSA-N;1,1-dimethylethyl (3R)-3-amino-3-phenylpropanoate;AKOS017342927;Tert-butyl (3R)-3-amino-3-phenyl-propanoate;Benzenepropanoic acid,b-amino-,1,1-dimethylethyl ester,(br)-;EN300-6512256;Benzenepropanoic acid, beta-amino-, 1,1-dimethylethyl ester, (betaR)-;(R)-tert-Butyl3-amino-3-phenylpropanoate;DB-232276;

标识符

MDL：

MFCD00798309

InChIKey：

TYYCBAISLMKLMT-LLVKDONJSA-N

Inchi：

1S/C13H19NO2/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/t11-/m1/s1

SMILES：

O(C(C[C@H](C1C=CC=CC=1)N)=O)C(C)(C)C

1-羟基吡啶硫酮钠盐(161671-34-7)物化性质

实验特性

LogP : 3.11850
PSA : 52.32000
折射率 : 1.496-1.498
沸点 : 318.7°Cat760mmHg
闪点 : 170.6°C
颜色与性状 : 淡黄色粘性液体
溶解性 : 无可用
密度 : 1.04 g/cm3

计算特性

精确分子量 : 221.14200
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 222.149404
重原子数量 : 16
复杂度 : 227
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） : 2.2
表面电荷 : 1
拓扑分子极性表面积 : 53.9

1-羟基吡啶硫酮钠盐(161671-34-7)安全信息

1-羟基吡啶硫酮钠盐(161671-34-7)推荐厂家更多厂家(2)

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1-羟基吡啶硫酮钠盐(161671-34-7)上下游

苯甲醛 β-苯基丙烯酰氯二乙基膦酰基乙酸叔丁酯 Phenol,2-[(phenylmethylene)amino]- 醋酸叔丁酯 N-亚苄基-α-苯基苄胺

1-羟基吡啶硫酮钠盐(161671-34-7) MSDS

基础信息

Name:	tert-Butyl (3R)-3-amino-3-phenylpropanoate 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	161671-34-7

Section 1 - Chemical Product ? MSDS Name:tert-Butyl (3R)-3-amino-3-phenylpropanoate 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
161671-34-7	tert-Butyl (3R)-3-amino-3-phenylpropan	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
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:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. 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:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. 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. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 161671-34-7: 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: Viscous liquid
Color: colorless to yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C13H19NO2
Molecular Weight: 221.29

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, nitrogen oxides (NOx) and ammonia (NH3).
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 161671-34-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl (3R)-3-amino-3-phenylpropanoate - 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: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
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# 161671-34-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 161671-34-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 161671-34-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A