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4-Amino-1-(trifluoromethyl)cyclohexanol Hydrochloride

4-Amino-1-(trifluoromethyl)cyclohexanol Hydrochloride - CAS 1421602-78-9

Catalog:	BB074499
Product Name:	4-Amino-1-(trifluoromethyl)cyclohexanol Hydrochloride
CAS:	1421602-78-9
Synonyms:	4-amino-1-(trifluoromethyl)cyclohexan-1-ol hydrochloride; 4-Amino-1-(trifluoromethyl)cyclohexanol hydrochloride; 4-Amino-1-(trifluoromethyl)cyclohexan-1-ol HCl; cis-4-amino-1-(trifluoromethyl)cyclohexanol; hydrochloride; rac-(1r,4r)-4-amino-1-(trifluoromethyl)cyclohexan-1-ol hydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-amino-1-(trifluoromethyl)cyclohexan-1-olhydrochloride
Molecular Weight:	219.63
Molecular Formula:	C7H13ClF3NO
Canonical SMILES:	C1CC(CCC1N)(C(F)(F)F)O.Cl
InChI:	InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)3-1-5(11)2-4-6/h5,12H,1-4,11H21H
InChI Key:	HYHNUWFMAWKRDR-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.0637762
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	219.0637762
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0