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N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester

N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester structure

CAS No:
137864-22-3
Formula:
C31H34N2O3
Chemical Name:
N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester
Synonyms:
L-Valine,N-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-,phenylmethyl ester;N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester

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N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester Basic Attributes

Molecular Weight：

482.61300

Exact Mass：

482.61

EC Number：

427-470-3

DSSTox ID：

DTXSID80677315

Characteristics

PSA：

70.40000

XLogP3：

6.51208

Density：

1.147 g/cm3

Boiling Point：

657.065ºC at 760 mmHg

Flash Point：

351.181ºC

Safety Information

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:482.6
XLogP3:6.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:482.25694295
Monoisotopic Mass:482.25694295
Topological Polar Surface Area:70.4
Heavy Atom Count:36
Complexity:727
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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