1-Amino-3-butyne - CAS 14044-63-4

Catalog:	BB009072
Product Name:	1-Amino-3-butyne
CAS:	14044-63-4
Synonyms:	but-3-yn-1-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	but-3-yn-1-amine
Description:	1-Amino-3-butyne (CAS# 14044-63-4) is a reagent used to prepare alkylaminodiaryl -dihydropyrazoles as potent, water-soluble inhibitors of mitotic kinesin spindle protein inhibitors. It is also used to synthesize oxoquinoline derivatives as cannabinoid CB2 receptor ligands.
Molecular Weight:	69.11
Molecular Formula:	C4H7N
Canonical SMILES:	C#CCCN
InChI:	InChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2
InChI Key:	XSBPYGDBXQXSCU-UHFFFAOYSA-N
Boiling Point:	104.815 ℃ at 760 mmHg
Purity:	95 %
Density:	0.843 g/cm³
Appearance:	Liquid
Storage:	Sealed in dry, 2-8 ℃
MDL:	MFCD09997741
LogP:	1.53520

Publication Number	Title	Priority Date
CN-113087461-A	Insulation board bonding mortar and preparation method thereof	20210324
CN-111920959-A	ROS (reactive oxygen species) -responsive heparin polysaccharide nano prodrug compound based on click reaction, nano preparation, and preparation method and application thereof	20200724
CN-113509557-A	Targeted protease degradation platform (TED)	20200409
WO-2021205391-A1	Targeted protease degradation (ted) platform	20200409
WO-2021130329-A1	Radiolabeled peptides for non-invasive diagnosis and treatment of cxcr4 expressing tumors	20191227

PMID	Publication Date	Title	Journal
15212554	20040630	Selective inhibition of bovine plasma amine oxidase by homopropargylamine, a new inactivator motif	Journal of the American Chemical Society

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[6397-33-7]
2-(Isopropylthio)aniline

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	47.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	69.057849228
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	69.057849228
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1