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

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[62972-93-4]
(Z)-11-Octadecen-1-ol
[4984-01-4]
3,7-Dimethyl-1-octene
[78-70-6]
Linalool
[942603-91-0]
Ethyl 6-methylene-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
[13360-81-1]
exo-5-Norbornene-2-methanol

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[4313-03-5]
2,4-Heptadienal

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