1-Diethylamino-2-propyne

Catalog Number	ACM4079689-1
CAS	4079-68-9
Structure
Synonyms	N,N-Diethylpropargylamine
IUPAC Name	N,N-diethylprop-2-yn-1-amine
Molecular Weight	111.18
Molecular Formula	C7H13N
Canonical SMILES	CCN(CC)CC#C
InChI	InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3
InChI Key	JZJXKEWVUBVOEH-UHFFFAOYSA-N
Boiling Point	118-120 °C
Melting Point	157-161 °C
Purity	80%+
Appearance	Liquid
Storage	2-8 °C
Exact Mass	111.104799419
Hydrogen-Bond Acceptor Count	1
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	111.104799419
Rotatable-Bond Count	3
Topological Polar Surface Area	3.2 Ų

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