as-Triazine, 1,4,5,6-tetrahydro-1,6-dimethyl-5-phenyl-3-(o-tolyl)-, hydrochloride
Basic information
- CAS
23570-10-7- Standard SMILES
Cc1ccccc1C1=NC(c2ccccc2)C(C)N(C)N1.Cl- InChIKey
ABEAWFMOSZQCEG-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1502254
Names & identifiers
- Preferred name
- as-Triazine, 1,4,5,6-tetrahydro-1,6-dimethyl-5-phenyl-3-(o-tolyl)-, hydrochloride
- IUPAC
- 1,6-dimethyl-3-(2-methylphenyl)-5-phenyl-5,6-dihydro-2H-1,2,4-triazine;hydrochloride
Names & synonyms
23570-10-7as-Triazine, 1,4,5,6-tetrahydro-1,6-dimethyl-5-phenyl-3-(o-tolyl)-, hydrochlorideRefChem:10772621,4,5,6-Tetrahydro-1,6-dimethyl-5-phenyl-3-(o-tolyl)-as-triazine hydrochlorideDTXSID609463541,6-Dimethyl-3-(2-methylphenyl)-5-phenyl-1,2,5,6-tetrahydro-1,2,4-triazine--hydrogen chloride (1/1)
Database identifiers
- CAS
23570-10-7- PubChem CID
- 211780
- DTXSID
DTXSID60946354
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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