Basic information
- CAS
18672-84-9- Standard SMILES
CCOc1cc(N)ccc1C(=O)OCC[NH+](CC)CC.O=P([O-])(O)O- InChIKey
SZMRQGZWBNQKNF-UHFFFAOYSA-N- Molecular formula
- C15H27N2O7P
- Average molar mass
- 378.36 g/mol
- Monoisotopic mass
- 378.1555882
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-ethoxy-, 2-(diethylamino)ethyl ester, hydrogen phosphate
- IUPAC
- 2-(4-amino-2-ethoxybenzoyl)oxyethyl-diethylazanium;dihydrogen phosphate
Names & synonyms
WIN 360618672-84-9BENZOIC ACID, 4-AMINO-2-ETHOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROGEN PHOSPHATEDTXSID701719384-Amino-2-ethoxy-benzoic acid 2-(diethylamino)ethyl ester hydrogen phosphateRefChem:327516DTXCID20944292-[(4-Amino-2-ethoxybenzoyl)oxy]-N,N-diethylethan-1-aminium dihydrogen phosphate
Database identifiers
- CAS
18672-84-9- PubChem CID
- 29209
- DTXSID
DTXSID70171938
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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