5-Benzoxazolamine, 2-(3-aminophenyl)-
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Basic information
- CAS
13676-48-7- Standard SMILES
Nc1cccc(-c2nc3cc(N)ccc3o2)c1- InChIKey
IKSUMZCUHPMCQV-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Names & identifiers
- Preferred name
- 5-Benzoxazolamine, 2-(3-aminophenyl)-
- IUPAC
- 2-(3-aminophenyl)-1,3-benzoxazol-5-amine
- English name
- 5-Amino-2-(3-aminophenyl)benzoxazole
- Molecular formula
- C13H11N3O
- Molecular weight
- 225.25
Names & synonyms
13676-48-75-benzoxazolamine, 2-(3-aminophenyl)-DTXSID40354034RefChem:301253DTXCID503050975-amino-2-(3-aminophenyl)benzoxazole2-(3-aminophenyl)-1,3-benzoxazol-5-amine2-(3-Amino-phenyl)-benzooxazol-5-ylamine2-(3-Aminophenyl)benzo[d]oxazol-5-amineSCHEMBL2270976SCHEMBL29364223IKSUMZCUHPMCQV-UHFFFAOYSA-N
Show more names
5-Amino-2-(m-aminophenyl)benzoxazole5-Benzoxazolamine, 2-(3-aminophenyl)2-(3-aminophenyl)-1,3-benzodoxazol-5-amine
STK3977642-(m-aminophenyl)-5-aminobenzoxazoleAKOS0001087802-(3-aminophenyl)-benzoxazol-5-amine2-(3-aminophenyl)benzoxazole-5-ylamineST100413ST45138316
Database identifiers
- CAS
13676-48-7- PubChem CID
- 762545
- DTXSID
DTXSID40354034- Nikkaji
- J3.548.207E
Properties
Computed structural propertiesFilling in
- 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)
- form
- Solid
- pka
- 6.98 · 6.98±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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