(2-(((anthracen-9-ylmethyl)(methyl)amino)methyl)phenyl)boronic acid | SBID = 1370 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 43.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C23H22BNO2 | ||
| M / g/mol: | 355.2 | ||
| Complexity: | 451.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical host
- Name: (2-(((anthracen-9-ylmethyl)(methyl)amino)methyl)phenyl)boronic acid
- Preferred Abbreviation: (2-(((anthracen-9-ylmethyl)(methyl)amino)methyl)phenyl)boronic acid
- IUPAC Name: [2-[[anthracen-9-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
- CAS: 156742-45-9
- CID: 9928560
- InChiKey: WINOYNXPYWZOTE-UHFFFAOYSA-N
- InChi: InChI=1S/C23H22BNO2/c1-25(15-19-10-4-7-13-23(19)24(26)27)16-22-20-11-5-2-8-17(20)14-18-9-3-6-12-21(18)22/h2-14,26-27H,15-16H2,1H3
- CanoSmiles: B(C1=CC=CC=C1CN(C)CC2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O
- IsoSmiles: B(C1=CC=CC=C1CN(C)CC2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O
