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N-(4-Aminobenzoyl)-β-alanine

N-(4-Aminobenzoyl)-β-alanine structure

CAS No:
7377-08-4
Formula:
C10H12N2O3
Chemical Name:
N-(4-Aminobenzoyl)-β-alanine
Synonyms:
β-Alanine,N-(4-aminobenzoyl)-;β-Alanine,N-(p-aminobenzoyl)-;N-(4-Aminobenzoyl)-β-alanine;p-Amino-N-benzoyl-β-alanine;3-(4-Aminobenzoylamino)propionic acid;3-[(4-Aminobenzoyl)amino]propanoic acid;3-[(4-Aminophenyl)formamido]propanoic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

Description

white to light orange-brown crystalline powder

4-Aminobenzoyl-(beta)-alanine is an organooxygen compound and an organonitrogen compound. It derives from a beta-amino acid.

N-(4-Aminobenzoyl)-β-alanine Basic Attributes

Molecular Weight：

208.21

Exact Mass：

208.21

EC Number：

1312995-182-4

UNII：

AB85LJQ945

DSSTox ID：

DTXSID30224136

HScode：

2924299090

Characteristics

PSA：

92.4

XLogP3：

Appearance：

White to light orange-brown crystalline powder

Density：

1.3±0.1 g/cm3

Melting Point：

148-149 °C

Boiling Point：

519.4±35.0 °C at 760 mmHg

Flash Point：

267.9±25.9 °C

Refractive Index：

1.604

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-aminobenzoyl-alanine

N-(4-Aminobenzoyl)-β-alanine Use and Manufacturing

N-(4-aminobenzoyl)-β-Alanine is a metabolite of BX661A, a therapeutic agent used in the treatment of ulcerative colitis, chemotaxis and reactive oxygen species productionin polymorphonuclear leukocyctes. Inhibits lipid peroxidation in large intestinal mucosa after mesenteric ischemia/reperfusion.

Computed Properties

Molecular Weight:208.21
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:208.08479225
Monoisotopic Mass:208.08479225
Topological Polar Surface Area:92.4
Heavy Atom Count:15
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 7377-08-4

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Guide of N-(4-Aminobenzoyl)-β-alanine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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N-(4-Aminobenzoyl)-β-alanine

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