(1R,2R)-N-Boc-2-aminocyclohexanol - CAS 155975-19-2

Catalog:	BB011186
Product Name:	(1R,2R)-N-Boc-2-aminocyclohexanol
CAS:	155975-19-2
Synonyms:	N-[(1R,2R)-2-hydroxycyclohexyl]carbamic acid tert-butyl ester; tert-butyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate
Description:	(1R,2R)-N-Boc-2-aminocyclohexanol (CAS# 155975-19-2 ) is a useful research chemical.
Molecular Weight:	215.29
Molecular Formula:	C11H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCCCC1O
InChI:	InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m1/s1
InChI Key:	XVROWZPERFUOCE-RKDXNWHRSA-N
Appearance:	White crystalline
LogP:	2.20550

Publication Number	Title	Priority Date
US-2021154179-A1	Substituted pyridines and methods of use	20191122
WO-2021102468-A1	Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors	20191122
US-2020188370-A1	Alk5 inhibitors	20181211
WO-2020123453-A2	Alk5 inhibitors	20181211
US-10952996-B2	ALK5 inhibitors	20181211

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	215.15214353
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.15214353
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6