2,5-Benzoxazolediamine
Basic information
- CAS
64037-26-9- Standard SMILES
Nc1ccc2oc(N)nc2c1- InChIKey
KGVVXUNDDIZWEL-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891186
Names & identifiers
- Preferred name
- 2,5-Benzoxazolediamine
- IUPAC
- 1,3-benzoxazole-2,5-diamine
- English name
- 2,5-Benzoxazolediamine
- Molecular formula
- C7H7N3O
- Molecular weight
- 149.15
Names & synonyms
64037-26-92,5-BenzoxazolediamineBENZOXAZOLE, 2,5-DIAMINO-DTXSID80214047RefChem:1060032DTXCID801365382,5-Diaminobenzoxazole2,5-Diaminobenzoxazol1,3-benzoxazole-2,5-diamineMFCD01664168BENZO[D]OXAZOLE-2,5-DIAMINESCHEMBL6398262
Show more names
Furo[3,4-c]pyridine-1,3-diamine
AC6531AKOS006360243SY130062DB-346501F8320394964-38-9
Database identifiers
- CAS
64037-26-9- PubChem CID
- 46399
- DTXSID
DTXSID80214047- Nikkaji
- J67.909G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 380.214 · 380.214±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.549 · 8.549±0.10(predicted)
- Appearance
- Off-white to light yellow Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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