Basic information
- CAS
67031-52-1- Standard SMILES
CCCCCCC(C)[NH2+]CCOC(=O)c1ccc(N)cc1.O=S(=O)([O-])O- InChIKey
RHRBEUOWICMLMG-UHFFFAOYSA-N- Molecular formula
- C17H30N2O6S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.18245785
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, hydrogen sulfate (2:1)
- IUPAC
- 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;hydrogen sulfate
Names & synonyms
67031-52-1p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester hydrogen sulfate (2:1)Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, hydrogen sulfate (2:1)RefChem:327887
Database identifiers
- CAS
67031-52-1- PubChem CID
- 48911
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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