Basic information
- CAS
34544-12-2- Standard SMILES
CN=c1oc2ccccc2n1C- InChIKey
KGLXZENKLRRZJM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 3-Methyl-2-(methylimino)benzoxazoline
- IUPAC
- N,3-dimethyl-1,3-benzoxazol-2-imine
- English name
- N-[3-Methylbenzoxazol-2(3H)-ylidene]methanamine
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
3-Methyl-2-(methylimino)benzoxazoline34544-12-2BENZOXAZOLINE, 3-METHYL-2-(METHYLIMINO)-DTXSID601031694RefChem:1068193DTXCID501516706BRN 1104289N-[3-Methylbenzoxazol-2(3H)-ylidene]methanamine
Database identifiers
- CAS
34544-12-2- PubChem CID
- 36849
- DTXSID
DTXSID601031694- Nikkaji
- J41.880C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 247.468 · 247.468±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.154 · 1.154±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.564 · 7.564±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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