3-Dimethylamino-1-propyne - CAS 7223-38-3

Catalog:	BB034575
Product Name:	3-Dimethylamino-1-propyne
CAS:	7223-38-3
Synonyms:	N,N-dimethylprop-2-yn-1-amine

Technical Data

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Computed Properties

IUPAC Name:	N,N-dimethylprop-2-yn-1-amine
Description:	3-Dimethylamino-1-propyne (CAS# 7223-38-3) is used as a reactant in the synthesis of quinazoline derivatives such as (2Z)-Afatinib (A355305) which may be used in the treatment of some cancers.
Molecular Weight:	83.13
Molecular Formula:	C5H9N
Canonical SMILES:	CN(C)CC#C
InChI:	InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
InChI Key:	ILBIXZPOMJFOJP-UHFFFAOYSA-N
Boiling Point:	80-81 °C
Density:	0.814 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
Appearance:	Clear colorless to yellow liquid
MDL:	MFCD00008575
LogP:	0.18120

Publication Number	Title	Priority Date
KR-102184530-B1	A crosslinked-type copolymer, a polymer membrane comprising the same, an anion exchange membrane comprising the polymer membrane, a fuel cell comprising the anion exchange membrane, and a method for manufacturing the crosslinked-type copolymer	20200616
WO-2021211408-A1	Substituted {1,2,4,} triazolo{1,5-a} pyrimidine compounds and use in stabilizing microtubules	20200414
WO-2021195346-A1	Lipoxygenase inhibitors	20200325
US-2021269400-A1	Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors	20200224
WO-2021173111-A1	Potent human neuronal nitric oxide synthase inhibitors	20200224

PMID	Publication Date	Title	Journal
21669438	20110915	Nanostructured functional co-polymers bioconjugate integrin inhibitors	Journal of colloid and interface science
21711612	20110121	Core shell hybrids based on noble metal nanoparticles and conjugated polymers: synthesis and characterization	Nanoscale research letters
20471027	20100815	Self-assembled nanoparticles of functional copolymers for photonic applications	Journal of colloid and interface science
19379006	20090521	Water-soluble BODIPY derivatives	Organic letters
18044923	20071221	A rational protocol for the synthesis of arylated bipyridine ligands via a cycloaddition pathway	The Journal of organic chemistry

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	65.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	83.073499291
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	83.073499291
Rotatable Bond Count:	1
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4