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2,2-Difluorocyclohexan-1-amine Hydrochloride

2,2-Difluorocyclohexan-1-amine Hydrochloride - CAS 921602-83-7

Catalog:	BB040448
Product Name:	2,2-Difluorocyclohexan-1-amine Hydrochloride
CAS:	921602-83-7
Synonyms:	2,2-difluoro-1-cyclohexanamine;hydrochloride; 2,2-difluorocyclohexan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2,2-difluorocyclohexan-1-amine;hydrochloride
Description:	2,2-Difluorocyclohexan-1-amine Hydrochloride (CAS# 921602-83-7) is a useful research chemical.
Molecular Weight:	171.62
Molecular Formula:	C6H12ClF2N
Canonical SMILES:	C1CCC(C(C1)N)(F)F.Cl
InChI:	InChI=1S/C6H11F2N.ClH/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H
InChI Key:	INIHWKPDAPMHQD-UHFFFAOYSA-N
LogP:	3.02530

Publication Number	Title	Priority Date
WO-2021127337-A1	Trpml modulators	20191219
US-2019382373-A1	6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORgT	20180618
US-10975057-B2	6-aminopyridin-3-yl pyrazoles as modulators of RORgT	20180618
AU-2017255525-A1	6-aminopyridin-3-yl thiazoles as modulators of rorgammat	20160427
CA-3022318-A1	6-aminopyridin-3-yl thiazoles as modulators of ror.gamma.t	20160427

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0626334
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.0626334
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0