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The molecular formula is C7H12ClN.
The molecular weight is 145.63 g/mol.
The IUPAC name is N-prop-2-enylbut-2-yn-1-amine; hydrochloride.
The InChI is InChI=1S/C7H11N.ClH/c1-3-5-7-8-6-4-2;/h4,8H,2,6-7H2,1H3;1H.
The InChIKey is LXJSIVRUGSJVHN-UHFFFAOYSA-N.
The canonical SMILES is CC#CCNCC=C.Cl.
The CAS number is 436099-58-0.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 1.
Yes, it is a canonicalized compound.
3-(Difluoromethoxy)phenylacetylene
3-(Trifluoromethoxy)phenylacetylene
N-Isobutyl-2-butyn-1-amine hydrochloride
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