Dipropargylamine - CAS 6921-28-4

Catalog:	BB033733
Product Name:	Dipropargylamine
CAS:	6921-28-4
Synonyms:	N-prop-2-ynylprop-2-yn-1-amine

Technical Data

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Computed Properties

IUPAC Name:	N-prop-2-ynylprop-2-yn-1-amine
Description:	Dipropargylamine (CAS# 6921-28-4) is a useful research chemical.
Molecular Weight:	93.13
Molecular Formula:	C6H7N
Canonical SMILES:	C#CCNCC#C
InChI:	InChI=1S/C6H7N/c1-3-5-7-6-4-2/h1-2,7H,5-6H2
InChI Key:	RGSODMOUXWISAG-UHFFFAOYSA-N
Boiling Point:	176.6 °C at 760 mmHg
Purity:	95 %
Density:	0.896 g/cm³
Appearance:	Red to brown to orange liquid
LogP:	0.23330

Publication Number	Title	Priority Date
CN-113514526-A	Reversible Ca2+Recognition ligand METH and preparation method and application thereof	20210419
JP-6844737-B1	Active energy ray-curable coating agent, cured product, and laminate	20200716
CN-112110953-A	Phosphate compound, synthetic method and non-aqueous electrolyte thereof	20200429
WO-2021110890-A1	Pyridinium derivatives as herbicides	20191206
WO-2021064073-A1	Herbicidal compounds	20191003

PMID	Publication Date	Title	Journal
19128182	20090114	Factors relevant for the regioselective cyclopolymerization of 1,6-heptadiynes, N,N-dipropargylamines, N,N-dipropargylammonium salts, and dipropargyl ethers by Ru(IV)-alkylidene-based metathesis initiators	Journal of the American Chemical Society

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	93.057849228
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	93.057849228
Rotatable Bond Count:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0