Cas no 33884-84-3 (Butanoic acid,4-amino-3-oxo-)
Butanoic acid,4-amino-3-oxo- structure
Product Name:Butanoic acid,4-amino-3-oxo-
CAS No:33884-84-3
MF:C4H7NO3
MW:117.103281259537
CID:312185
PubChem ID:3015665
Update Time:2025-04-19
Butanoic acid,4-amino-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-amino-3-oxo-
- 4-amino-3-oxobutanoic acid
- 4-amino-3-oxo-butanoic acid
- 33884-84-3
- gamma-aminoacetoacetic acid
- Butanoic acid, 4-amino-3-oxo-
- SCHEMBL277727
- AKOS006365877
- DTXSID90187511
-
- Inchi： 1S/C4H7NO3/c5-2-3(6)1-4(7)8/h1-2,5H2,(H,7,8)
- InChI Key： YCSUSNVQZDYEKF-UHFFFAOYSA-N
- SMILES： O=C(CN)CC(=O)O
Computed Properties
- Exact Mass: 117.04261
- Monoisotopic Mass: 117.042593
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.4
- XLogP3: -3.5
Experimental Properties
- Density: 1.301
- Boiling Point: 302.7°Cat760mmHg
- Flash Point: 136.9°C
- Refractive Index: 1.483
- PSA: 80.39
Butanoic acid,4-amino-3-oxo- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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