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N-Carbamoyl-β-alanine

N-Carbamoyl-β-alanine structure

CAS No:
462-88-4
Formula:
C4H8N2O3
Chemical Name:
N-Carbamoyl-β-alanine
Synonyms:
β-Alanine,N-(aminocarbonyl)-;β-Alanine,N-carbamoyl-;N-(Aminocarbonyl)-β-alanine;Urea,(2-carboxyethyl)-;Carbamoyl-β-alanine;3-Ureidopropionic acid;Propanoic acid,3-[(aminocarbonyl)amino]-;Carbamyl β-alanine;N-Carbamoyl-β-alanine;β-Ureidopropionic acid;NSC 190691;NSC 65768;3-[(Aminocarbonyl)amino]propanoic acid

Description

Ureidopropionic acid is an intermediate in the metabolism of uracil.

Solid

N-carbamoyl-beta-alanine is a beta-alanine derivative that is propionic acid bearing a ureido group at position 3. It has a role as a metabolite and a mouse metabolite. It derives from a propionic acid. It is a conjugate acid of a N-carbamoyl-beta-alaninate.

N-Carbamoyl-β-alanine Basic Attributes

Molecular Weight：

132.11800

Exact Mass：

132.12

NSC Number：

65768

DSSTox ID：

DTXSID60196771

HScode：

2924199090

Characteristics

PSA：

92.42000

XLogP3：

0.22060

Appearance：

Solid

Density：

1.337g/cm3

Melting Point：

169-170 °C

Boiling Point：

324.8ºC at 760mmHg

Flash Point：

150.2ºC

Refractive Index：

1.504

Water Solubility：

3.21e+02 g/l

Collision Cross Section：

132.3 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|135.8 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|132.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|132.5 Å² [M+Na]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

beta-ureidopropionate

N-Carbamoyl-β-alanine Use and Manufacturing

A Uracil metabolite, and a vital compound in linking uracil to β-Alanine metabolism

Computed Properties

Molecular Weight:132.12
XLogP3:-1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:132.05349212
Monoisotopic Mass:132.05349212
Topological Polar Surface Area:92.4
Heavy Atom Count:9
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-Carbamoyl-β-alanine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

N-Carbamoyl-β-alanine

SDS

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