Basic information
- CAS
116076-33-6- Standard SMILES
CC(N)NC(=O)CCP(=O)(O)O- InChIKey
DMDCCUNLRACGRL-UHFFFAOYSA-N- Molecular formula
- C5H13N2O4P
- Average molar mass
- 196.14 g/mol
- Monoisotopic mass
- 196.0612939
Names & identifiers
- Preferred name
- Phosphonic acid, (3-((1-aminoethyl)amino)-3-oxopropyl)-
- IUPAC
- [3-(1-aminoethylamino)-3-oxopropyl]phosphonic acid
Names & synonyms
116076-33-6Phosphonic acid, (3-((1-aminoethyl)amino)-3-oxopropyl)-DTXSID60921904N-(1-Aminoethyl)-3-phosphonopropanimidic acid
Database identifiers
- CAS
116076-33-6- PubChem CID
- 189348
- DTXSID
DTXSID60921904
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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