Basic information
- CAS
98991-68-5- Standard SMILES
COc1ccc(OC)c(C(N)=O)c1N- InChIKey
AYSCLHJMABMGAU-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- Benzamide, 2-amino-3,6-dimethoxy-
- IUPAC
- 2-amino-3,6-dimethoxybenzamide
- English name
- 2-amino-3,6-dimethoxybenzamide
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
98991-68-5Benzamide, 2-amino-3,6-dimethoxy-DTXSID00358477RefChem:321368DTXCID703095322-amino-3,6-dimethoxybenzamideOprea1_234443AG-777/36176044
Database identifiers
- CAS
98991-68-5- PubChem CID
- 899768
- DTXSID
DTXSID00358477
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 115 · 115-117 °C
- Boiling point
- 303 · 303.0±42.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 15.17 · 15.17±0.50(Predicted)
Chemistry & industry
Suppliers3 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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