6-Amino-2-(3-aminophenyl)benzoxazole
Basic information
- CAS
313502-13-5- Standard SMILES
Nc1cccc(-c2nc3ccc(N)cc3o2)c1- InChIKey
VSMRWFMFAFOGGD-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Names & identifiers
- Preferred name
- 6-Amino-2-(3-aminophenyl)benzoxazole
- IUPAC
- 2-(3-aminophenyl)-1,3-benzoxazol-6-amine
- English name
- 6-Amino-2-(3-aminophenyl)benzoxazole
- Molecular formula
- C13H11N3O
- Molecular weight
- 225.25
Names & synonyms
313502-13-56-AMINO-2-(3-AMINOPHENYL)BENZOXAZOLE2-(3-aminophenyl)-1,3-benzoxazol-6-amine2-(3-Aminophenyl)benzo[d]oxazol-6-amineOprea1_473029SCHEMBL2268609SCHEMBL29363950DTXSID50398222AKOS0243627162-(3-Aminophenyl)benzoxazol-6-ylamine2-(3-aminophenyl)benzoxazole-6-ylamineST50993743
Show more names
6-Amino-2-(m-aminophenyl)benzoxazole6-Benzoxazolamine, 2-(3-aminophenyl)-[2-(3-AMinophenyl)benzoxazol-6-yl]aMine
Database identifiers
- CAS
313502-13-5- PubChem CID
- 3956205
- DTXSID
DTXSID50398222
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 450 · 450.0±25.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 3.71 · 3.71±0.10(Predicted)
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Related reactions
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Compound notes
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