Basic information
- CAS
14153-49-2- Standard SMILES
C[C@@H]1[C@@H](c2ccccc2)N=C(c2ccccc2Cl)NN1C.Cl- InChIKey
HLLZHPMCDAEGHD-KKJWGQAZSA-N- Molecular formula
- C17H19Cl2N3
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 335.095603
Names & identifiers
- Preferred name
- as-Triazine, 1,4,5,6-tetrahydro-3-(o-chlorophenyl)-1,6-dimethyl-5-phenyl-, monohydrochloride, trans-(+)-
- IUPAC
- (5R,6R)-3-(2-chlorophenyl)-1,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine;hydrochloride
- English name
- As-triazine, 1,4,5,6-tetrahydro-3-(o-chlorophenyl)-1,6-dimethyl-5-phenyl-, monohydrochloride, trans-(+)-
- Molecular formula
- C17H19Cl2N3
- Molecular weight
- 336.25886
Names & synonyms
14153-49-2as-Triazine, 1,4,5,6-tetrahydro-3-(o-chlorophenyl)-1,6-dimethyl-5-phenyl-, monohydrochloride, trans-(+)-RefChem:10772647220-57-7DTXSID30931116as-Triazine, 1,4,5,6-tetrahydro-3-(o-chlorophenyl)-1,6-dimethyl-5-phenyl-, monohydrochloride, trans-(-)-(5R,6R)-3-(2-Chlorophenyl)-1,6-dimethyl-5-phenyl-1,2,5,6-tetrahydro-1,2,4-triazine--hydrogen chloride (1/1)3-(2-Chlorophenyl)-1,6-dimethyl-5-phenyl-1,2,5,6-tetrahydro-1,2,4-triazine--hydrogen chloride (1/1)
Database identifiers
- CAS
14153-49-2、7220-57-7- PubChem CID
- 201982
- DTXSID
DTXSID30931116
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
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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