Dimethyl (((1-oxoallyl)amino)methyl)phosphonate
Basic information
- CAS
24610-95-5- Standard SMILES
C=CC(=O)NCP(=O)(OC)OC- InChIKey
OLKYWAGUBPTLHH-UHFFFAOYSA-N- Molecular formula
- C6H12NO4P
- Average molar mass
- 193.14 g/mol
- Monoisotopic mass
- 193.05039486
Names & identifiers
- Preferred name
- Dimethyl (((1-oxoallyl)amino)methyl)phosphonate
- IUPAC
- N-(dimethoxyphosphorylmethyl)prop-2-enamide
- English name
- dimethyl [[(1-oxoallyl)amino]methyl]phosphonate
- Molecular formula
- C6H12NO4P
- Molecular weight
- 193.14
Names & synonyms
24610-95-5Dimethyl (((1-oxoallyl)amino)methyl)phosphonateEINECS 246-353-6dimethyl [(prop-2-enamido)methyl]phosphonateSCHEMBL977677DTXSID10179357OLKYWAGUBPTLHH-UHFFFAOYSA-NNS00027704dimethyl [[(1-oxoallyl)amino]methyl]phosphonate[[(1-Oxo-2-propenyl)amino]methyl]phosphonic acid dimethyl esterPhosphonic acid, P-[[(1-oxo-2-propen-1-yl)amino]methyl]-, dimethyl ester
Database identifiers
- CAS
24610-95-5- PubChem CID
- 90556
- DTXSID
DTXSID10179357- EC Number
- 246-353-6
- Nikkaji
- J286.354E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
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Compound notes
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