4-Amino-3-buten-2-one - CAS 2976-86-5

Catalog:	BB054263
Product Name:	4-Amino-3-buten-2-one
CAS:	2976-86-5
Synonyms:	3-Buten-2-one, 4-amino-; 1-Amino-1-buten-3-one; Methyl β-aminovinyl ketone

Technical Data

Computed Properties

Related CAS:	2801-93-6 (E-isomer) 2802-09-7 (Z-isomer)
IUPAC Name:	4-aminobut-3-en-2-one
Molecular Weight:	85.10
Molecular Formula:	C4H7NO
Canonical SMILES:	CC(=O)C=CN
InChI:	InChI=1S/C4H7NO/c1-4(6)2-3-5/h2-3H,5H2,1H3
InChI Key:	NGUGWHFIVAQVMN-UHFFFAOYSA-N
Boiling Point:	94-96°C at 14 Torr
Melting Point:	14-15°C
Purity:	≥95%
Density:	1.0220 g/cm3

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Related Functional Groups

Alkenes

[64437-48-5]
(Z)-10-Hexadecenol
[116-04-1]
β-Humulene
[1120-36-1]
1-Tetradecene
[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
[828299-73-6]
3-Allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
[373-49-9]
Palmitoleic acid

Amines and Anilines

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Complexity:	75.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	85.052763847
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	85.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1