2-Amino-3-butyne Hydrochloride - CAS 42105-26-0

Catalog:	BB025046
Product Name:	2-Amino-3-butyne Hydrochloride
CAS:	42105-26-0
Synonyms:	3-butyn-2-amine;hydrochloride; but-3-yn-2-amine;hydrochloride

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Computed Properties

IUPAC Name:	but-3-yn-2-amine;hydrochloride
Description:	2-Amino-3-butyne Hydrochloride (CAS# 42105-26-0) is a useful research chemical.
Molecular Weight:	105.57
Molecular Formula:	C4H8ClN
Canonical SMILES:	CC(C#C)N.Cl
InChI:	InChI=1S/C4H7N.ClH/c1-3-4(2)5;/h1,4H,5H2,2H3;1H
InChI Key:	YSJBFJIMQKWSDK-UHFFFAOYSA-N
Boiling Point:	132.4 °C at 760 mmHg
LogP:	1.46910

Publication Number	Title	Priority Date
US-2020347009-A1	Bicyclic compounds	20190416
WO-2020214734-A1	Bicyclic compounds	20190416
TW-202104189-A	Bicyclic compounds	20190416
US-2020095245-A1	Novel methods for preparation of substituted pyridines and related novel compounds	20180924
US-11117893-B2	Methods for preparation of substituted pyridines and related novel compounds	20180924

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GHS Hazard Statement:	H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	57.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	105.0345270
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	105.0345270
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0