(S)-2-Amino-1-phenyl-3-butene Hydrochloride - CAS 141448-55-7

Catalog:	BB009179
Product Name:	(S)-2-Amino-1-phenyl-3-butene Hydrochloride
CAS:	141448-55-7
Synonyms:	(2S)-1-phenyl-3-buten-2-amine;hydrochloride; (2S)-1-phenylbut-3-en-2-amine;hydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	(2S)-1-phenylbut-3-en-2-amine;hydrochloride
Description:	(S)-2-Amino-1-phenyl-3-butene Hydrochloride (CAS# 141448-55-7 ) is a useful research chemical.
Molecular Weight:	183.68
Molecular Formula:	C10H14ClN
Canonical SMILES:	C=CC(CC1=CC=CC=C1)N.Cl
InChI:	InChI=1S/C10H13N.ClH/c1-2-10(11)8-9-6-4-3-5-7-9;/h2-7,10H,1,8,11H2;1H/t10-;/m1./s1
InChI Key:	GMQARJHXPFBJRD-HNCPQSOCSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	3.24470

Publication Number	Title	Priority Date
US-2009270499-A1	Process for Synthesizing Atazanavir	20080424
WO-2009130534-A1	Process for synthesizing atazanavir	20080424
DE-4126482-A1	(ALPHA) -TRIFLUORMETHYL-SUBSTITUTED, SATURATED-BICYCLIC AMINES AND METHOD FOR THE PRODUCTION THEREOF	19910810
DE-4126485-A1	TRIFLUOROMETHYL-CONTAINING PSEUDOPEPTIDE	19910810
EP-0527385-A1	Alpha-trifluoromethyl substituted, saturated bicyclic amines and process for their preparation	19910810

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Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0814771
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.0814771
Rotatable Bond Count:	3
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0