Basic information
- CAS
21038-16-4- Standard SMILES
Nc1ccc2c(c1)CONC2- InChIKey
WEYTUUBWDDEAGG-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-7-amino-
- IUPAC
- 3,4-dihydro-1H-2,3-benzoxazin-7-amine
- English name
- 1H-2,3-Benzoxazin-7-amine,3,4-dihydro-(9CI)
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
Benzoxazone7-Amino-3,4-dihydro-1H-2,3-benzoxazine21038-16-4BRN 11038071H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-AMINO-DTXSID00175247RefChem:237279DTXCID60977383,4-dihydro-1H-2,3-benzoxazin-7-amine1H-2,3-Benzoxazin-7-amine, 3,4-dihydro-1H-2,3-Benzoxazin-7-amine,3,4-dihydro-(9CI)
Database identifiers
- CAS
21038-16-4- PubChem CID
- 30455
- DTXSID
DTXSID00175247- Nikkaji
- J41.929J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 308.4 · 308.4±52.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 4.37 · 4.37±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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