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N-(Phenoxycarbonyl)-L-valine methyl ester

N-(Phenoxycarbonyl)-L-valine methyl ester structure

CAS No:
153441-77-1
Formula:
C13H17NO4
Chemical Name:
N-(Phenoxycarbonyl)-L-valine methyl ester
Synonyms:
L-Valine,N-(phenoxycarbonyl)-,methyl ester;N-(Phenoxycarbonyl)-L-valine methyl ester;N-(Phenyloxycarbonyl)-L-valine methyl ester

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N-(Phenoxycarbonyl)-L-valine methyl ester Basic Attributes

Molecular Weight：

251.27800

Exact Mass：

251.28

EC Number：

414-500-5

UNII：

Y8A482A85H

HScode：

2924299090

Characteristics

PSA：

64.63000

XLogP3：

2.36350

Density：

1.128g/cm3

Melting Point：

58-62ºC

Boiling Point：

335ºC

Flash Point：

156.4ºC

Refractive Index：

1.505

Vapor Pressure：

0.000124mmHg at 25°C

Safety Information

Marks：

F+; C

GHS Classification：

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:251.28
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:251.11575802
Monoisotopic Mass:251.11575802
Topological Polar Surface Area:64.6
Heavy Atom Count:18
Complexity:285
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(Phenoxycarbonyl)-L-valine methyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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