6-Propionyl-2-(dimethy-lamino)-napthalene | SBID = 409 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 190.9 | ||
| Sum Formula: | C15H17NO | ||
| M / g/mol: | 227.307 | ||
| Complexity: | 274.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 6-Propionyl-2-(dimethy-lamino)-napthalene
- Preferred Abbreviation: Prodan
- IUPAC Name: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
- CAS: 70504-01-7
- CID: 107729
- InChiKey: MPPQGYCZBNURDG-UHFFFAOYSA-N
- InChi: InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
- CanoSmiles: CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)C
- IsoSmiles: CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)C
