Basic information
- CAS
69781-66-4- Standard SMILES
CCC(COC(=O)c1ccc(N)cc1)[NH2+]C1CCCCC1.[Cl-]- InChIKey
NUBFWNDQODVEDX-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O2
- Average molar mass
- 326.9 g/mol
- Monoisotopic mass
- 326.1761058
Names & identifiers
- Preferred name
- 2-(Cyclohexylamino)butyl 4-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- 1-(4-aminobenzoyl)oxybutan-2-yl-cyclohexylazanium chloride
Names & synonyms
69781-66-4DTXSID509900032-(Cyclohexylamino)butyl 4-aminobenzoate--hydrogen chloride (1/1)RefChem:1061532DTXCID101417110p-Aminobenzoic acid 2-(cyclohexylamino)butyl ester hydrochlorideBENZOIC ACID, p-AMINO-, 2-(CYCLOHEXYLAMINO)BUTYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
69781-66-4- PubChem CID
- 50820
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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