Parazoanthoxanthin A
Basic information
- CAS
53823-11-3- Standard SMILES
Cc1c2nc(N)nc-2ccc2[nH]c(N)nc12- InChIKey
SHHMMSFAIOQFON-UHFFFAOYSA-N- Molecular formula
- C10H10N6
- Average molar mass
- 214.23 g/mol
- Monoisotopic mass
- 214.09669434
Overview
PARAZOANTHOXANTHIN A has been reported in Parazoanthus axinellae with data available.
Names & identifiers
- Preferred name
- Parazoanthoxanthin A
- IUPAC
- 2-methyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,12-hexaene-5,12-diamine
Names & synonyms
PARAZOANTHOXANTHIN A53823-11-3DTXSID703143682-methyl-4,6,11,13-tetrazatricyclo(8.3.0.03,7)trideca-1(10),2,4,6,8,12-hexaene-5,12-diamine2-methyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,12-hexaene-5,12-diamineRefChem:170050DTXCID20265492NSC282147SHHMMSFAIOQFON-UHFFFAOYSA-N1H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine, 4-methyl-NSC-2821474-Methyl-1H-cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine
Database identifiers
- CAS
53823-11-3- PubChem CID
- 323259
- DTXSID
DTXSID70314368- Nikkaji
- J795.875G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
3 records
Compound notes
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