(1-Amino-2-propenyl)phosphonic acid
Basic information
- CAS
100432-06-2- Standard SMILES
C=CC(N)P(=O)(O)O- InChIKey
SOYYNIZBUONFOI-UHFFFAOYSA-N- Molecular formula
- C3H8NO3P
- Average molar mass
- 137.07 g/mol
- Monoisotopic mass
- 137.02418011
Overview
inhibitor of alanine racemase & D-alanylalanine synthetase; structure given in first source
Names & identifiers
- Preferred name
- (1-Amino-2-propenyl)phosphonic acid
- IUPAC
- 1-aminoprop-2-enylphosphonic acid
- English name
- (1-amino-2-propenyl)phosphonic acid
- Molecular formula
- C3H8NO3P
- Molecular weight
- 137.07
Names & synonyms
100432-06-2(1-Amino-2-propenyl)phosphonic acid1-AppaRefChem:68115(1-Aminoallyl)phosphonic acidSCHEMBL442716DTXSID909054941-amino-2-propenyl phosphonic acidAKOS006362213(1-aminoprop-2-en-1-yl)phosphonic acidPhosphonic acid, (1-amino-2-propenyl)- (9CI)
Database identifiers
- CAS
100432-06-2- PubChem CID
- 124576
- DTXSID
DTXSID90905494- ChEMBL
CHEMBL154711
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 353 · 353.0±52.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 1.48 · 1.48±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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