2-(Cyclohexylamino)propyl 4-ethoxybenzoate--hydrogen chloride (1/1)
Basic information
- CAS
28073-38-3- Standard SMILES
CCOc1ccc(C(=O)OCC(C)[NH2+]C2CCCCC2)cc1.[Cl-]- InChIKey
UXMGKKOKAQHLGP-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO3
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1757714
Names & identifiers
- Preferred name
- 2-(Cyclohexylamino)propyl 4-ethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- cyclohexyl-[1-(4-ethoxybenzoyl)oxypropan-2-yl]azanium chloride
Names & synonyms
28073-38-3DTXSID809507962-(Cyclohexylamino)propyl 4-ethoxybenzoate--hydrogen chloride (1/1)RefChem:1061538DTXCID601378941p-Ethoxybenzoic acid 2-(cyclohexylamino)propyl ester hydrochloride2-Cyclohexylamino-1-propanol p-ethoxybenzoate hydrochlorideBENZOIC ACID, p-ETHOXY-, 2-(CYCLOHEXYLAMINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
28073-38-3- PubChem CID
- 34138
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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