Gallamine | SBID = 426 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 37.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C24H45N3O3 | ||
| M / g/mol: | 423.642 | ||
| Complexity: | 362.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Gallamine
- Preferred Abbreviation: Gallamine
- IUPAC Name: 2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine
- CAS: 153-76-4
- CID: 67425
- InChiKey: ICLWTJIMXVISSR-UHFFFAOYSA-N
- InChi: InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
- CanoSmiles: CCN(CC)CCOC1=C(C(=CC=C1)OCCN(CC)CC)OCCN(CC)CC
- IsoSmiles: CCN(CC)CCOC1=C(C(=CC=C1)OCCN(CC)CC)OCCN(CC)CC
