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tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate

tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate structure

CAS No:
180683-64-1
Formula:
C11H22N2O2
Chemical Name:
tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate
Synonyms:
trans-N-tert-Butoxycarbonyl-1,2-cyclohexanediamine; tert-butoxycarbonyl-S,S-1,2-diaminocyclohexane;
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate Basic Attributes

Molecular Weight：

214.30500

Exact Mass：

214.168127949 g/mol

DSSTox ID：

DTXSID10363875

HScode：

2942000000

Characteristics

PSA：

64.35000

XLogP3：

2.87220

Density：

1.02g/cm3

Boiling Point：

322.1ºC

Flash Point：

148.6ºC

Refractive Index：

1.488

Vapor Pressure：

0.000286mmHg at 25°C

Safety Information

Transport codes：

UN 3259 8/PG 3

hazard class code：

R34

safety instructions：

S26; S36/37/39; S45

Marks：

GHS Classification：

|Danger|H314 (97.44%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:214.30
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.168127949
Monoisotopic Mass:214.168127949
Topological Polar Surface Area:64.4
Heavy Atom Count:15
Complexity:223
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 180683-64-1

Grade: Pharmaceutical Grade

Content: 99%

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