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N-(1-Oxobutyl)alanine

N-(1-Oxobutyl)alanine structure

CAS No:
59875-04-6
Formula:
C7H13NO3
Chemical Name:
N-(1-Oxobutyl)alanine
Synonyms:
Alanine,N-(1-oxobutyl)-;DL-Alanine,N-(1-oxobutyl)-;N-(1-Oxobutyl)alanine;2-((Butanoyl)amino)propanoic acid;2-Butyrylamino propionic acid;2-Butanamidopropanoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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N-(1-Oxobutyl)alanine Basic Attributes

Molecular Weight：

200.23494

Exact Mass：

159.18

EC Number：

1592732-453-0

Characteristics

PSA：

66.40000

XLogP3：

0.00

Density：

1.1±0.1 g/cm3

Boiling Point：

371.8±25.0 °C at 760 mmHg

Flash Point：

178.7±23.2 °C

Refractive Index：

1.459

Safety Information

GHS Classification：

|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:159.18
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:159.08954328
Monoisotopic Mass:159.08954328
Topological Polar Surface Area:66.4
Heavy Atom Count:11
Complexity:156
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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