Basic information
- CAS
26208-52-6- Standard SMILES
CCN(CC)CCOC(=O)[C@@H]1CCCC[C@@H]1C.Cl- InChIKey
YTHQITGMXKCSNV-JHEYCYPBSA-N- Molecular formula
- C14H28ClNO2
- Average molar mass
- 277.83 g/mol
- Monoisotopic mass
- 277.1808568
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 2-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, (Z)-
- IUPAC
- cis-2-(diethylamino)ethyl (1R,2S)-2-methylcyclohexane-1-carboxylate;hydrochloride
Names & synonyms
26208-52-6NSC 75135Cyclohexanecarboxylic acid, 2-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, (Z)-cis-2-Methylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester hydrochlorideDTXSID30180844Cyclohexanecarboxylic acid, 2-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, cis-RefChem:335335DTXCID70103335Cyclohexanecarboxylic acid, 2-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, cis-(9CI)DAA15870NSC75135NSC-75135
Show more names
WLN: L6TJ AVO2N2&2 B1 &GH -ZCyclohexanecarboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride, cis-2-(Diethylamino)ethyl (1R,2S)-2-methylcyclohexane-1-carboxylate--hydrogen chloride (1/1)Cyclohexanecarboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride, (Z)-
Database identifiers
- CAS
26208-52-6- PubChem CID
- 213342
- DTXSID
DTXSID30180844
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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