4,4-Difluorocyclohexylamine Hydrochloride - CAS 675112-70-6

Catalog:	BB033302
Product Name:	4,4-Difluorocyclohexylamine Hydrochloride
CAS:	675112-70-6
Synonyms:	4,4-difluoro-1-cyclohexanamine;hydrochloride; 4,4-difluorocyclohexan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	4,4-difluorocyclohexan-1-amine;hydrochloride
Description:	Cyclohexyl-substituted pyrrolidinones and their use as inhibitors of 11-β-hydroxysteroid dehydrogenase 1.
Molecular Weight:	171.62
Molecular Formula:	C6H12ClF2N
Canonical SMILES:	C1CC(CCC1N)(F)F.Cl
InChI:	InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-5(9)2-4-6;/h5H,1-4,9H2;1H
InChI Key:	QYJPFTAKVBDDPD-UHFFFAOYSA-N
Boiling Point:	187.8 °C at 760 mmHg
MDL:	MFCD06246881
LogP:	3.02530

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GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	93.2
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:	0
Undefined Bond Stereocenter Count:	0