2NpCH2ImidMe | SBID = 2361 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | 8.81 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 3.96 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C15H15BrN2 | ||
| M / g/mol: | 303.2 | ||
| Complexity: | 253.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 2NpCH2ImidMe
- Preferred Abbreviation: 2NpCH2ImidMe
- IUPAC Name: 1-methyl-3-(naphthalen-2-ylmethyl)imidazol-1-ium;bromide
- CAS:
- CID: 139330878
- InChiKey: ZVUOHYWFQWXIHQ-UHFFFAOYSA-M
- InChi: InChI=1S/C15H15N2.BrH/c1-16-8-9-17(12-16)11-13-6-7-14-4-2-3-5-15(14)10-13;/h2-10,12H,11H2,1H3;1H/q+1;/p-1
- CanoSmiles: C[N+]1=CN(C=C1)CC2=CC3=CC=CC=C3C=C2.[Br-]
- IsoSmiles: C[N+]1=CN(C=C1)CC2=CC3=CC=CC=C3C=C2.[Br-]
