Basic information
- CAS
28073-36-1- Standard SMILES
COc1ccccc1C(=O)OCC(C)[NH2+]C1CCCCC1.[Cl-]- InChIKey
SYJWHEHHHHVMSS-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Names & identifiers
- Preferred name
- 2-(Cyclohexylamino)propyl 2-methoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- cyclohexyl-[1-(2-methoxybenzoyl)oxypropan-2-yl]azanium chloride
Names & synonyms
28073-36-1DTXSID209507952-(Cyclohexylamino)propyl 2-methoxybenzoate--hydrogen chloride (1/1)RefChem:1061536DTXCID9013789402-(Cyclohexylamino)propyl o-anisate hydrochloride2-Cyclohexylamino-1-propanol o-methoxybenzoate hydrochlorideo-ANISIC ACID, 2-(CYCLOHEXYLAMINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
28073-36-1- PubChem CID
- 34136
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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