Basic information
- CAS
69907-49-9- Standard SMILES
CCOP(=O)(OCC)c1ncn(Cc2ccccc2)c1N- InChIKey
QUIDMROFUKBSGH-UHFFFAOYSA-N- Molecular formula
- C14H20N3O3P
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.12422851
Names & identifiers
- Preferred name
- Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate
- IUPAC
- 3-benzyl-5-diethoxyphosphorylimidazol-4-amine
Names & synonyms
69907-49-9NSC307455Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonateDTXSID60316851NSC-307455DS-0047573-benzyl-5-diethoxyphosphoryl-imidazol-4-amine
Database identifiers
- CAS
69907-49-9- PubChem CID
- 328599
- DTXSID
DTXSID60316851
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…