Auramine O | SBID = 188 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 30.3 | ||
| 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: | C17H22ClN3 | ||
| M / g/mol: | 303.834 | ||
| Complexity: | 278.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, dye
- Name: Auramine O
- Preferred Abbreviation: Auramine O
- IUPAC Name: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride
- CAS: 2465-27-2
- CID: 17170
- InChiKey: KSCQDDRPFHTIRL-UHFFFAOYSA-N
- InChi: InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
- CanoSmiles: CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl
- IsoSmiles: CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl
