Basic information
- CAS
137027-51-1- Standard SMILES
Cc1cc2c(N)c(=O)occ2c2nc(N)n(C)c12- InChIKey
IYPSSTXPOKBOPU-UHFFFAOYSA-N- Molecular formula
- C12H12N4O2
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.09602564
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,6-Diamino-3,4-dimethyl-7-oxopyrano(4,3-g)benzimidazole
- IUPAC
- 2,6-diamino-3,4-dimethylpyrano[3,4-e]benzimidazol-7-one
- English name
- 2,6-diamino-3,4-dimethyl-7-oxopyrano(4,3-g)benzimidazole
- Molecular formula
- C12H12N4O2
- Molecular weight
- 244.25
Names & synonyms
137027-51-12,6-Diamino-3,4-dimethyl-7-oxopyrano(4,3-g)benzimidazoleDTXSID40160036DDOBRefChem:83110DTXCID00825272,6-Diamino-3,4-dimethylpyrano(3,4-e)benzimidazol-7(3H)-onePyrano(3,4-e)benzimidazol-7(3H)-one, 2,6-diamino-3,4-dimethyl-2,6-Diamino-3,4-dimethylpyrano[3,4-e][1,3]benzimidazol-7(3H)-onePyrano[3,4-e]benzimidazol-7(3H)-one, 2,6-diamino-3,4-dimethyl-
Database identifiers
- CAS
137027-51-1- PubChem CID
- 132018
- DTXSID
DTXSID40160036
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Boiling point
- 387.17 °C · 387.17°C (rough estimate)
- Density
- 1.2206 · 1.2206 (rough estimate)
- refractive index
- 1.6081 · 1.6081 (estimate)
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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