Carbanilic acid, m-pentyloxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-
Basic information
- CAS
38198-31-1- Standard SMILES
CCCCCOc1cccc(NC(=O)O[C@@H]2CCCC[C@H]2[NH+](CC)CC)c1.[Cl-]- InChIKey
FWDHSZALKDVGOE-MUCZFFFMSA-N- Molecular formula
- C22H37ClN2O3
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, m-pentyloxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-
- IUPAC
- diethyl-[(1R,2R)-2-[(3-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride
Names & synonyms
m-Pentyloxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochlorideCarbanilic acid, m-pentyloxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-38198-31-1RefChem:333053
Database identifiers
- CAS
38198-31-1- PubChem CID
- 37933
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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