4,4,4-Trifluoro-1-butylamine Hydrochloride - CAS 84153-82-2

Catalog:	BB037138
Product Name:	4,4,4-Trifluoro-1-butylamine Hydrochloride
CAS:	84153-82-2
Synonyms:	4,4,4-trifluoro-1-butanamine;hydrochloride; 4,4,4-trifluorobutan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	4,4,4-trifluorobutan-1-amine;hydrochloride
Description:	4,4,4-Trifluoro-1-butylamine Hydrochloride (CAS# 84153-82-2) is a useful research chemical.
Molecular Weight:	163.57
Molecular Formula:	C4H9ClF3N
Canonical SMILES:	C(CC(F)(F)F)CN.Cl
InChI:	InChI=1S/C4H8F3N.ClH/c5-4(6,7)2-1-3-8;/h1-3,8H2;1H
InChI Key:	QOTKGSVSGMIHGN-UHFFFAOYSA-N
Boiling Point:	67.1 °C at 760 mmHg
MDL:	MFCD09258951
LogP:	2.78990

Publication Number	Title	Priority Date
CN-112778089-A	New synthesis method of 4,4, 4-trifluoro-1-butanol and homologues thereof	20210104
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
CN-109369354-A	A kind of synthetic method of tri- fluoro butanol of 4,4,4-	20181215
CN-109369354-B	Synthesis method of 4,4, 4-trifluorobutanol	20181215
WO-2017066742-A1	Bace-2 inhibitory compounds and related methods of use	20151016

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	58.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.0375615
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	163.0375615
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0