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(S)-2-Amino-3,3,3-trifluoro-1-propanol Hydrochloride

(S)-2-Amino-3,3,3-trifluoro-1-propanol Hydrochloride - CAS 1255946-09-8

Catalog:	BB006146
Product Name:	(S)-2-Amino-3,3,3-trifluoro-1-propanol Hydrochloride
CAS:	1255946-09-8
Synonyms:	(2S)-2-amino-3,3,3-trifluoro-1-propanol;hydrochloride; (2S)-2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride

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Computed Properties

IUPAC Name:	(2S)-2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride
Description:	(S)-2-Amino-3,3,3-trifluoro-1-propanol Hydrochloride (CAS# 1255946-09-8 ) is a useful research chemical.
Molecular Weight:	165.54
Molecular Formula:	C3H7ClF3NO
Canonical SMILES:	C(C(C(F)(F)F)N)O.Cl
InChI:	InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(7)1-8;/h2,8H,1,7H2;1H/t2-;/m0./s1
InChI Key:	HIRRLLQTXSVEDV-DKWTVANSSA-N
LogP:	1.37060

Publication Number	Title	Priority Date
WO-2021081375-A1	Inhibitors of raf kinases	20191024
US-11098031-B1	Inhibitors of RAF kinases	20191024
US-2021300904-A1	Inhibitors of raf kinases	20191024
AU-2017342156-A1	1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors	20161013
EP-3526206-A1	1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin d synthase inhibitors	20161013

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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:	71.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	165.0168260
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	165.0168260
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0