Propargylamine - CAS 2450-71-7

Catalog:	BB018507
Product Name:	Propargylamine
CAS:	2450-71-7
Synonyms:	prop-2-yn-1-amine

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Computed Properties

IUPAC Name:	prop-2-yn-1-amine
Description:	A useful intermediates in the preparation of drugs or pesticides.
Molecular Weight:	55.08
Molecular Formula:	C3H5N
Canonical SMILES:	C#CCN
InChI:	InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2
InChI Key:	JKANAVGODYYCQF-UHFFFAOYSA-N
Boiling Point:	84 ℃
Purity:	95 %
Density:	0.803 g/cm³
Appearance:	Clear yellow.
Storage:	2-8 ℃
MDL:	MFCD00008198
LogP:	0.27860

Publication Number	Title	Priority Date
CN-113476614-A	Uniform polyelectrolyte composite vesicle and preparation method thereof, antibacterial vesicle, hydrophobic substance-encapsulated vesicle and anti-adhesion vesicle	20210707
CN-113416219-A	Glycosyl spiropyran compound and application thereof	20210621
CN-113480537-A	Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof	20210618
CN-113341058-A	Three-color high-throughput sequencing reagent and sequencing method	20210609
CN-113264895-A	Synthetic method for preparing benzoxazole compound from catechol compound and amine compound	20210606

PMID	Publication Date	Title	Journal
28608746	20180501	New insights in the metabolism of oxybutynin: evidence of N-oxidation of propargylamine moiety and rearrangement to enaminoketone	Xenobiotica; the fate of foreign compounds in biological systems
23415084	20130401	Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors	Bioorganic & medicinal chemistry
22996071	20121104	Kinetic resolution of propargylamines via a highly enantioselective non-enzymatic N-acylation process	Chemical communications (Cambridge, England)
22753190	20121008	Bacitracin-conjugated superparamagnetic iron oxide nanoparticles: synthesis, characterization and antibacterial activity	Chemphyschem : a European journal of chemical physics and physical chemistry
22840013	20121001	A versatile method for functionalization and grafting of 2-hydroxyethyl cellulose (HEC) via Click chemistry	Carbohydrate polymers

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Related Functional Groups

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[935-14-8]
1,4-Diethynylbenzene
[3623-15-2]
1-Phenyl-2-propyn-1-one

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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, P262, P264, P270, P280, P301+P312, P301+P330+P331, P302+P350, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P322, P330, P361, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	38.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	55.042199164
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	55.042199164
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4