Basic information
- CAS
5341-34-4- Standard SMILES
CCN(CC)CCC(=O)c1ccc2ccc3ccccc3c2c1.Cl- InChIKey
XXQMZIZXKDXBQB-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1546421
Names & identifiers
- Preferred name
- 3-[3-(Diethylamino)propanoyl]phenanthrene, hydrochloride
- IUPAC
- 3-(diethylamino)-1-phenanthren-3-ylpropan-1-one;hydrochloride
Names & synonyms
5341-34-4AGN-PC-0JRGPHDTXSID00332530NSC20863-[3-(DIETHYLAMINO)PROPANOYL]PHENANTHRENE, HYDROCHLORIDENSC-2086NSC402419NSC-4024193-(diethylamino)-1-(3-phenanthryl)propan-1-one3-Diethylamino-1-(3-phenanthryl)-1-propanone, hydrochloride3-(Diethylamino)-1-(phenanthren-3-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
5341-34-4- PubChem CID
- 458541
- DTXSID
DTXSID00332530
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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