Basic information
- CAS
40451-47-6- Standard SMILES
Cc1cc(N(C)C)c2ncnc-2c2nc(N)n(C)c12- InChIKey
WOYJUCXCGYYVSH-UHFFFAOYSA-N- Molecular formula
- C13H16N6
- Average molar mass
- 256.31 g/mol
- Monoisotopic mass
- 256.14364454
Overview
Zoanthoxanthin has been reported in Parazoanthus axinellae and Antipathes dichotoma with data available.
Names & identifiers
- Preferred name
- Zoanthoxantin
- IUPAC
- 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine
- English name
- zoanthoxantin
- Molecular formula
- C13H16N6
- Molecular weight
- 256.31
Names & synonyms
Zoanthoxantin40451-47-6DTXSID60193467N(6),N(6),3,4-Tetramethyl-3H-cyclohepta(1,2-d:4,5-d')diimidazole-2,6-diamine9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo(8.3.0.02,6)trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamineRefChem:196196DTXCID70115958ZoanthoxanthinBRN 1222242N~6~,N~6~,3,4-Tetramethyl-3H-cyclohepta[1,2-d:3,4-d']diimidazole-2,6-diamine3H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine, N6,N6,3,4-tetramethyl-
Show more names
3,4-Dimethyl-6-dimethylamino-3H-cyclohepta[1,2-d:4,5-d']diimidazol-2-amine
Database identifiers
- CAS
40451-47-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 477.5 · 477.5±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 8.05 · 8.05±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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