4-(Trifluoromethyl)cyclohexanamine - CAS 58665-70-6

Catalog:	BB030119
Product Name:	4-(Trifluoromethyl)cyclohexanamine
CAS:	58665-70-6
Synonyms:	4-(trifluoromethyl)-1-cyclohexanamine; 4-(trifluoromethyl)cyclohexan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	4-(trifluoromethyl)cyclohexan-1-amine
Description:	4-(Trifluoromethyl)cyclohexanamine (CAS# 58665-70-6 ) is a useful research chemical.
Molecular Weight:	167.17
Molecular Formula:	C7H12F3N
Canonical SMILES:	C1CC(CCC1C(F)(F)F)N
InChI:	InChI=1S/C7H12F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4,11H2
InChI Key:	YCBWLMWEQURJHX-UHFFFAOYSA-N
Boiling Point:	145.123 °C at 760 mmHg
Density:	1.136 g/cm³
MDL:	MFCD09040573
LogP:	2.76650

Publication Number	Title	Priority Date
WO-2021076448-A1	Somatostatin modulators for treating pituitary adenomas	20191014
WO-2021042046-A1	Membrane-active anti-bacterial compounds and uses thereof	20190830
US-2021047287-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
WO-2021030262-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.09218387
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.09218387
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9