Basic information
- CAS
100811-78-7- Standard SMILES
CCCCOc1cc(N)ccc1C(=O)OCCC[NH+]1CCCCC1.O=P([O-])(O)O- InChIKey
JERWAZWOGZRFTL-UHFFFAOYSA-N- Molecular formula
- C19H33N2O7P
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.20253839
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate
- IUPAC
- dihydrogen phosphate;3-piperidin-1-ium-1-ylpropyl 4-amino-2-butoxybenzoate
Names & synonyms
WIN 3502100811-78-74-Amino-2-butoxy-benzoic acid 3-piperidinopropyl ester hydrogen phosphateBENZOIC ACID, 4-AMINO-2-BUTOXY-, 3-PIPERIDINOPROPYL ESTER, HYDROGEN PHOSPHATEDTXSID00143527RefChem:327514DTXCID20660181-{3-[(4-Amino-2-butoxybenzoyl)oxy]propyl}piperidin-1-ium dihydrogen phosphate
Database identifiers
- CAS
100811-78-7- PubChem CID
- 58014
- DTXSID
DTXSID00143527
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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