(1S,2R)-N1-Boc-1,2-cyclohexanediamine - CAS 365996-30-1

Name: (1S,2R)-N1-Boc-1,2-cyclohexanediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023012
Product Name:	(1S,2R)-N1-Boc-1,2-cyclohexanediamine
CAS:	365996-30-1
Synonyms:	N-[(1S,2R)-2-aminocyclohexyl]carbamic acid tert-butyl ester; tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate
Description:	(1S,2R)-N1-Boc-1,2-cyclohexanediamine (CAS# 365996-30-1) is a useful research chemical compound.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCCCC1N
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+/m1/s1
InChI Key:	AKVIZYGPJIWKOS-BDAKNGLRSA-N
Boiling Point:	322.1 °C at 760 mmHg
Density:	1.02 g/cm³
Appearance:	White to off white solid
LogP:	2.87220

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113072497-A	Protease inhibitors, their preparation and use	20210112
US-2020079769-A1	Thiadiazole irak4 compounds	20180813
WO-2020036986-A1	Thiadiazole irak4 inhibitors	20180813
AU-2019320770-A1	Thiadiazole IRAK4 inhibitors	20180813
CA-3105534-A1	Thiadiazole irak4 inhibitors	20180813

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3