Basic information
- CAS
5756-05-8- Standard SMILES
CCCCNP(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
LQUFYOOEPKYNTH-UHFFFAOYSA-N- Molecular formula
- C16H20NO3P
- Average molar mass
- 305.31 g/mol
- Monoisotopic mass
- 305.1180805
Names & identifiers
- Preferred name
- N-diphenoxyphosphorylbutan-1-amine
- IUPAC
- N-diphenoxyphosphorylbutan-1-amine
Names & synonyms
5756-05-8N-diphenoxyphosphorylbutan-1-amineNSC19193Diphenyl N-butylphosphoramidateSCHEMBL17109338DTXSID40328311LQUFYOOEPKYNTH-UHFFFAOYSA-NNSC-19193
Database identifiers
- CAS
5756-05-8- PubChem CID
- 409182
- DTXSID
DTXSID40328311
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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