trans-2-Aminocyclohexanol hydrochloride - CAS 5456-63-3

Catalog:	BB028721
Product Name:	trans-2-Aminocyclohexanol hydrochloride
CAS:	5456-63-3
Synonyms:	(1R,2R)-2-aminocyclohexan-1-ol;hydrochloride

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Computed Properties

IUPAC Name:	(1R,2R)-2-aminocyclohexan-1-ol;hydrochloride
Description:	trans-2-Aminocyclohexanol hydrochloride (CAS# 5456-63-3 ) is a useful research chemical.
Molecular Weight:	151.63
Molecular Formula:	C6H14ClNO
Canonical SMILES:	C1CCC(C(C1)N)O.Cl
InChI:	InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m1./s1
InChI Key:	LKKCSUHCVGCGFA-KGZKBUQUSA-N
Boiling Point:	201.1 °C at 760 mmHg
Density:	1.037 g/cm³
Appearance:	Powder
MDL:	MFCD00001490
LogP:	1.75090

Publication Number	Title	Priority Date
WO-2021193897-A1	Substituted pyridazine compound	20200327
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021087181-A1	Substituted pyrazole compounds as toll receptor inhibitors	20191101

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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

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0763918
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	151.0763918
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0