Basic information
- CAS
39945-55-6- Standard SMILES
O=C(NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1- InChIKey
LDVRMOGNIYUVJI-UHFFFAOYSA-O- Molecular formula
- C29H29NO2P+
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.19359117
Names & identifiers
- Preferred name
- Benzyl 3-(triphenylphosphoranyl)propylcarbamate
- IUPAC
- triphenyl-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
Names & synonyms
Benzyl 3-(triphenylphosphoranyl)propylcarbamateNSC 21214639945-55-6NSC2121468MNT6F5X743-(benzyloxycarbonylamino)propyl-triphenyl-phosphoniumTriphenyl[3-[[(phenylmethoxy)carbonyl]amino]propyl]phosphoniumPhosphonium, triphenyl[3-[[(phenylmethoxy)carbonyl]amino]propyl]-693764-80-6
Database identifiers
- CAS
39945-55-6、693764-80-6- PubChem CID
- 494178
- UNII
- 8MNT6F5X74
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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