Basic information
- CAS
69781-61-9- Standard SMILES
CC(C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
DDIFNFYPKCXPBI-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Names & identifiers
- Preferred name
- 1-(Cyclohexylamino)propan-2-yl 4-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-(4-aminobenzoyl)oxypropyl-cyclohexylazanium chloride
Names & synonyms
69781-61-9DTXSID709900001-(Cyclohexylamino)propan-2-yl 4-aminobenzoate--hydrogen chloride (1/1)RefChem:1054628DTXCID401417107p-Aminobenzoic acid (2-(cyclohexylamino)-1-methyl)ethyl ester hydrochloride2-Propanol, 1-(cyclohexylamino)-, 4-aminobenzoate (ester), monohydrochlorideBENZOIC ACID, p-AMINO-, (2-(CYCLOHEXYLAMINO)-1-METHYL)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
69781-61-9- PubChem CID
- 50813
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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