Basic information
- CAS
102583-82-4- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(N)cc1OC.O=P([O-])(O)O- InChIKey
XHQBKJIPUZYWOH-UHFFFAOYSA-N- Molecular formula
- C14H25N2O7P
- Average molar mass
- 364.33 g/mol
- Monoisotopic mass
- 364.13993814
Names & identifiers
- Preferred name
- Win 2595
- IUPAC
- 2-(4-amino-2-methoxybenzoyl)oxyethyl-diethylazanium;dihydrogen phosphate
Names & synonyms
WIN 2595102583-82-44-Amino-o-anisic acid 2-(diethylamino)ethyl ester hydrogen phosphateDTXSID50145298o-ANISIC ACID, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROGEN PHOSPHATERefChem:388382DTXCID80677892-[(4-Amino-2-methoxybenzoyl)oxy]-N,N-diethylethan-1-aminium dihydrogen phosphate
Database identifiers
- CAS
102583-82-4- PubChem CID
- 59564
- DTXSID
DTXSID50145298
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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