Basic information
- CAS
121-23-3- Standard SMILES
Cc1cc(N=C2C=CC(=O)C=C2)c(N)cc1N- InChIKey
HAXAVAPYQCRUSA-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Names & identifiers
- Preferred name
- 4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one
- IUPAC
- 4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one
- English name
- N-(2,4-Diamino-5-methylphenyl)-p-benzoquinoneimine
- Molecular formula
- C13H13N3O
- Molecular weight
- 227.26
Names & synonyms
121-23-34-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-oneT95E73ZC4A4-[(2,4-Diamino-5-methylphenyl)imino]-2,5-cyclohexadien-1-oneNSC-928034-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dienoneNSC92803EINECS 204-457-9N-(2,4-DIAMINO-5-METHYLPHENYL)-P-BENZOQUINONEIMINEUNII-T95E73ZC4A
Show more names
N-(2,4-diamino-5-methylphenyl)quinone imine4-[(2,4-Diamino-6-methylphenyl)imino]-2,5-cyclohexadien-1-one2,5-Cyclohexadien-1-one, 4-[(2,4-diamino-5-methylphenyl)imino]-
2'-Amino-5'-methylindoanilineSCHEMBL11794810DTXSID30153098HAXAVAPYQCRUSA-UHFFFAOYSA-NN-(4,6-Diamino-m-tolyl)quinonimineNSC 928032, 4-[(4,6-diamino-m-tolyl)imino]-p-Benzoquinone imine,6-diamino-m-tolyl)-
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- FDA UNII
- 95 E73ZC4A · T95E73ZC4A
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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