Basic information
- CAS
7494-60-2- Standard SMILES
CN(C)CCC(=O)c1ccc2c(ccc3ccccc32)c1.Cl- InChIKey
VEFBZVNVBMMKHH-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.123342
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(2-phenanthryl)propan-1-one
- IUPAC
- 3-(dimethylamino)-1-phenanthren-2-ylpropan-1-one;hydrochloride
Names & synonyms
7494-60-2AGN-PC-0JRGPG3-(dimethylamino)-1-(2-phenanthryl)propan-1-oneDTXSID90332529NSC402406NSC-4024063-Dimethylamino-1-(2-phenanthryl)-1-propanone, hydrochloride3-(Dimethylamino)-1-(phenanthren-2-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
7494-60-2- PubChem CID
- 458540
- DTXSID
DTXSID90332529
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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