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(S)-2-Amino-1,1,1-trifluoropropane Hydrochloride

(S)-2-Amino-1,1,1-trifluoropropane Hydrochloride - CAS 125353-44-8

Catalog:	BB006104
Product Name:	(S)-2-Amino-1,1,1-trifluoropropane Hydrochloride
CAS:	125353-44-8
Synonyms:	(2S)-1,1,1-trifluoro-2-propanamine;hydrochloride; (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(2S)-1,1,1-trifluoropropan-2-amine;hydrochloride
Description:	(S)-2-Amino-1,1,1-trifluoropropane Hydrochloride (CAS# 125353-44-8) is a useful research chemical for the preparation of HCV inhibitors.
Molecular Weight:	149.54
Molecular Formula:	C3H7ClF3N
Canonical SMILES:	CC(C(F)(F)F)N.Cl
InChI:	InChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H/t2-;/m0./s1
InChI Key:	VLVCERQEOKPRTG-DKWTVANSSA-N
Boiling Point:	116 °C at 760 mmHg
LogP:	2.39820

Publication Number	Title	Priority Date
WO-2021160617-A1	Spirocyclic inhibitors of hepatitis b virus	20200211
WO-2021058001-A1	Crystal form of five-membered n heterocyclic compound, and application thereof	20190929
WO-2021058002-A1	Crystalline form of capsid protein assembly inhibitor containing n hetero five-membered ring, and application thereof	20190929
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

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GHS Hazard Statement:	H315 (99.37%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0219114
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	149.0219114
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0