1-Ethynylcyclopropanamine Hydrochloride - CAS 1268810-17-8

Catalog:	BB006693
Product Name:	1-Ethynylcyclopropanamine Hydrochloride
CAS:	1268810-17-8
Synonyms:	1-ethynyl-1-cyclopropanamine;hydrochloride; 1-ethynylcyclopropan-1-amine;hydrochloride

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Computed Properties

IUPAC Name:	1-ethynylcyclopropan-1-amine;hydrochloride
Description:	1-Ethynylcyclopropanamine Hydrochloride (CAS# 1268810-17-8) is a useful research chemical.
Molecular Weight:	117.58
Molecular Formula:	C5H8ClN
Canonical SMILES:	C#CC1(CC1)N.Cl
InChI:	InChI=1S/C5H7N.ClH/c1-2-5(6)3-4-5;/h1H,3-4,6H2;1H
InChI Key:	XBHDGYBZTODLSE-UHFFFAOYSA-N
LogP:	1.61320

Publication Number	Title	Priority Date
US-2019292187-A1	Substituted pyrrolizine compounds and uses thereof	20180226
US-10836769-B2	Substituted pyrrolizine compounds and uses thereof	20180226
US-2021147429-A1	Substituted pyrrolizine compounds and uses thereof	20180226
NL-2020021-B1	Cathepsin inhibitors	20171205
WO-2019112426-A1	Cathepsin inhibitors	20171205

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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:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	117.0345270
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	117.0345270
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0