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N-(tert-Butoxycarbonyl)-2-aminoacetonitrile

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile structure

CAS No:
85363-04-8
Formula:
C7H12N2O2
Chemical Name:
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
Synonyms:
N-(TERT-BUTOXYCARBONYL)-2-AMINOACETONITRILE;AKOS 91568;Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester (9CI);BOC-2-AMINOACETONITRILE;BOC-GLY-NITRILE;N-BOC-2-Aminoacetonitrile;Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester;N-(cyanomethyl)carbamic acid tert-butyl ester
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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N-(tert-Butoxycarbonyl)-2-aminoacetonitrile Basic Attributes

Molecular Weight：

156.18

Exact Mass：

156.089877630 g/mol

DSSTox ID：

DTXSID50337999

HScode：

2926909090

Characteristics

PSA：

62.12000

XLogP3：

1.42558

Density：

1.1832

Melting Point：

53-57 °C(lit.)

Boiling Point：

186 °C(lit.)

Flash Point：

>110ºC

Refractive Index：

1.4880 (estimate)

PKA：

9.96±0.46

Safety Information

wgk germany：

hazard class code：

20/21/22

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:156.18
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:156.089877630
Monoisotopic Mass:156.089877630
Topological Polar Surface Area:62.1
Heavy Atom Count:11
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-(tert-Butoxycarbonyl)-2-aminoacetonitrile.

CAS No.: 85363-04-8

Content: 98%

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Guide of N-(tert-Butoxycarbonyl)-2-aminoacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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