Neutral red hydrochloride | SBID = 171 | Compound |
Structure
Molecular Properties
| Interactions: | 16 | ||
| PubChem TPSA/Å2: | 55.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C15H17ClN4 | ||
| M / g/mol: | 288.779 | ||
| Complexity: | 319.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, dye
- Name: Neutral red hydrochloride
- Preferred Abbreviation: Neutral red hydrochloride
- IUPAC Name: 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride
- CAS: 553-24-2
- CID: 11105
- InChiKey: PGSADBUBUOPOJS-UHFFFAOYSA-N
- InChi: InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H
- CanoSmiles: CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.Cl
- IsoSmiles: CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.Cl
