Basic information
- CAS
77733-25-6- Standard SMILES
Cc1cccc(CNC2=NCCO2)c1C- InChIKey
DOSNTASWTMTORU-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626314
Names & identifiers
- Preferred name
- Benzylamine, 2,3-dimethyl-N-(2-oxazolin-2-yl)-
- IUPAC
- N-[(2,3-dimethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
77733-25-62-(2,3-Dimethylbenzylamino)-2-oxazolineBENZYLAMINE, 2,3-DIMETHYL-N-(2-OXAZOLIN-2-YL)-2,3-Dimethyl-N-(2-oxazolin-2-yl)benzylamineDTXSID90228357RefChem:328765DTXCID10150848N-[(2,3-dimethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amineSCHEMBL1178520DOSNTASWTMTORU-UHFFFAOYSA-NDA-41379((2,3-dimethylphenyl)methyl)-1,3-oxazolin-2-ylamine
Database identifiers
- CAS
77733-25-6- PubChem CID
- 53739
- DTXSID
DTXSID90228357- Nikkaji
- J69.064C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
2 records
Compound notes
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