5-Hexyn-1-amine Hydrochloride - CAS 102169-54-0

Catalog:	BB000794
Product Name:	5-Hexyn-1-amine Hydrochloride
CAS:	102169-54-0
Synonyms:	5-hexyn-1-amine;hydrochloride; hex-5-yn-1-amine;hydrochloride

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Computed Properties

IUPAC Name:	hex-5-yn-1-amine;hydrochloride
Description:	5-Hexyn-1-amine Hydrochloride (CAS# 102169-54-0) is a useful research chemical.
Molecular Weight:	133.62
Molecular Formula:	C6H12ClN
Canonical SMILES:	C#CCCCCN.Cl
InChI:	InChI=1S/C6H11N.ClH/c1-2-3-4-5-6-7;/h1H,3-7H2;1H
InChI Key:	CBCZSSUFAOAUMP-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.25090

Publication Number	Title	Priority Date
WO-2021050612-A1	Compositions and methods for the treatment of respiratory syncytial virus	20190909
AU-2017324930-A1	Chemical probes of lysyl oxidase-like 2 and uses thereof	20160907
EP-3510404-A1	Chemical probes of lysyl oxidase-like 2 and uses thereof	20160907
US-2019192697-A1	Chemical probes of lysyl oxidask-like 2 and uses thereof	20160907
WO-2018048928-A1	Chemical probes of lysyl oxidase-like 2 and uses thereof	20160907

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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:	67.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.0658271
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	133.0658271
Rotatable Bond Count:	3
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0