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N-(2-Chloroacetyl)alanine

N-(2-Chloroacetyl)alanine structure

CAS No:
1190-32-5
Formula:
C5H8ClNO3
Chemical Name:
N-(2-Chloroacetyl)alanine
Synonyms:
Alanine,N-(2-chloroacetyl)-;Alanine,N-(chloroacetyl)-,DL-;Alanine,N-(chloroacetyl)-;N-(2-Chloroacetyl)alanine;N-Chloroacetyl-DL-alanine;2-(2-Chloroacetamido)propanoic acid;2-[(2-Chloroacetyl)amino]propanoic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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N-(2-Chloroacetyl)alanine Basic Attributes

Molecular Weight：

165.57

Exact Mass：

165.57

EC Number：

214-721-5

NSC Number：

270555|10374

HScode：

2922509090

Characteristics

PSA：

66.4

XLogP3：

0.20540

Density：

1.341±0.06 g/cm3(Predicted)

Melting Point：

126-127 °C @ Solvent: Water

Boiling Point：

401.5±30.0 °C(Predicted)

Flash Point：

196.6ºC

Refractive Index：

1.482

Water Solubility：

almost transparency

Vapor Pressure：

1.43E-07mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S22-S24/25

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:165.57
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:165.0192708
Monoisotopic Mass:165.0192708
Topological Polar Surface Area:66.4
Heavy Atom Count:10
Complexity:148
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-Chloroacetyl)alanine

Basic Attributes
Characteristics
Safety Information
Computed Properties
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N-(2-Chloroacetyl)alanine

SDS

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