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1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate

1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate structure

CAS No:
99281-90-0
Formula:
C14H18N2O2
Chemical Name:
1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate
Synonyms:
Carbamic acid,N-[(1S)-1-cyano-2-phenylethyl]-,1,1-dimethylethyl ester;Carbamic acid,(1-cyano-2-phenylethyl)-,1,1-dimethylethyl ester,(S)-;Carbamic acid,[(1S)-1-cyano-2-phenylethyl]-,1,1-dimethylethyl ester;1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate;944726-83-4;1120367-08-9

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1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate Basic Attributes

Molecular Weight：

246.30500

Exact Mass：

246.30

DSSTox ID：

DTXSID90373199

HScode：

2926909090

Characteristics

PSA：

62.12000

XLogP3：

3.03688

Density：

1.107g/cm3

Melting Point：

114-115 °C

Boiling Point：

424ºC

Flash Point：

210.3ºC

Refractive Index：

1.517

Storage Conditions：

Store at 0-5ºC

Computed Properties

Molecular Weight:246.30
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:246.136827821
Monoisotopic Mass:246.136827821
Topological Polar Surface Area:62.1
Heavy Atom Count:18
Complexity:318
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: inosine; diisopropyl ether; ethyl propionate; 2 methyl 2 butene; 2 methyl 2 butanol; cinnamic acid

Guide of 1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate

Basic Attributes
Characteristics
Computed Properties
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