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tert-butyl N-[cyano(phenyl)methyl]carbamate

tert-butyl N-[cyano(phenyl)methyl]carbamate structure

CAS No:
78558-73-3
Formula:
C13H16N2O2
Chemical Name:
tert-butyl N-[cyano(phenyl)methyl]carbamate
Synonyms:
2-(tert-butoxycarbonyloxyamino)-2-phenylacetonitrile; N-Boc-amino-phenylacetonitrile; Carbamic acid,N-(cyanophenylmethyl)-,1,1-dimethylethyl ester; 2-(tert-butoxycarbonylamino)-2-phenylacetonitrile; (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester; tert-butyl cyano(phenyl)methylcarbamate;Expand

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tert-butyl N-[cyano(phenyl)methyl]carbamate Basic Attributes

Molecular Weight：

232.27800

Exact Mass：

232.121177757

DSSTox ID：

DTXSID10401064

HScode：

2926909090

Characteristics

PSA：

62.12000

XLogP3：

3.16688

Density：

1.099g/cm3

Boiling Point：

367.8ºC at 760 mmHg

Flash Point：

176.3ºC

Refractive Index：

1.519

Computed Properties

Molecular Weight:232.28
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:232.121177757
Monoisotopic Mass:232.121177757
Topological Polar Surface Area:62.1
Heavy Atom Count:17
Complexity:305
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl N-[cyano(phenyl)methyl]carbamate

Basic Attributes
Characteristics
Computed Properties
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