Basic information
- CAS
39787-52-5- Standard SMILES
CN(C)[C@H]1Cc2ccccc2[C@H]1OC(=O)c1ccccc1.Cl- InChIKey
BKIUZYZVPOAATP-MCJVGQIASA-N- Molecular formula
- C18H20ClNO2
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.1182566
Names & identifiers
- Preferred name
- 1-Indanol, 2-dimethylamino-, benzoate, hydrochloride, (Z)-
- IUPAC
- [(1R,2S)-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl] benzoate;hydrochloride
Names & synonyms
NSC 3097181-Indanol, 2-dimethylamino-, benzoate, hydrochloride, (Z)-39787-52-5cis-1-Benzoyloxy-2-dimethylaminoindan hydrochlorideDTXSID90192862RefChem:230977DTXCID30115353(1R,2S)-2-(Dimethylamino)-2,3-dihydro-1H-inden-1-yl benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
39787-52-5- PubChem CID
- 217870
- DTXSID
DTXSID90192862
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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