Basic information
- CAS
18672-13-4- Standard SMILES
Nc1ccc(N2COc3ccc(N)cc3C2=O)cc1- InChIKey
MYCCIRTWWFFNLD-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.10077667
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 6-amino-3-(p-aminophenyl)-2,3-dihydro-
- IUPAC
- 6-amino-3-(4-aminophenyl)-2H-1,3-benzoxazin-4-one
- English name
- 6-Amino-3-(4-aminophenyl)-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C14H13N3O2
- Molecular weight
- 255.27
Names & synonyms
18672-13-4BRN 15889454H-1,3-BENZOXAZIN-4-ONE, 6-AMINO-3-(p-AMINOPHENYL)-2,3-DIHYDRO-6-Amino-3-(p-aminophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-oneDTXSID50171936RefChem:297040DTXCID20944276-amino-3-(4-aminophenyl)-2H-1,3-benzoxazin-4-one6-Amino-3-(4-aminophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one6-Amino-3-(4-aminophenyl)-2H-1,3-benzoxazin-4(3H)-one4H-1,3-Benzoxazin-4-one, 6-amino-3-(4-aminophenyl)-2,3-dihydro-
Database identifiers
- CAS
18672-13-4- PubChem CID
- 29205
- DTXSID
DTXSID50171936- Nikkaji
- J67.823F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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