Basic information
- CAS
101491-75-2- Standard SMILES
C[NH+](C)CCCNC(=O)OCCCc1ccccc1.O=P([O-])(O)O- InChIKey
KSKPDMOPUGFDBW-UHFFFAOYSA-N- Molecular formula
- C15H27N2O6P
- Average molar mass
- 362.36 g/mol
- Monoisotopic mass
- 362.16067358
Names & identifiers
- Preferred name
- Carbamic acid, (3-(dimethylamino)propyl)-, 3-phenylpropyl ester, monophosphate
- IUPAC
- dihydrogen phosphate;dimethyl-[3-(3-phenylpropoxycarbonylamino)propyl]azanium
Names & synonyms
101491-75-2CARBAMIC ACID, (3-(DIMETHYLAMINO)PROPYL)-, 3-PHENYLPROPYL ESTER, MONOPHOSPHATE3-Phenylpropyl N-(3-(dimethylamino)propyl)carbamate phosphateDTXSID50143956RefChem:332004DTXCID1066447n,n-dimethyl-3-{[(3-phenylpropoxy)carbonyl]amino}propan-1-aminium dihydrogen phosphateCarbamic acid, [3-(dimethylamino)propyl]-, 3-phenylpropyl ester, phosphate (1:1) (9CI)
Database identifiers
- CAS
101491-75-2- PubChem CID
- 58451
- DTXSID
DTXSID50143956
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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