Basic information
- CAS
22201-99-6- Standard SMILES
CN1CCN=C(CCc2ccccc2)N1.Cl- InChIKey
VASJERGNIVJDEM-UHFFFAOYSA-N- Molecular formula
- C12H18ClN3
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1189253
Names & identifiers
- Preferred name
- as-Triazine, 1,4,5,6-tetrahydro-1-methyl-3-phenethyl-, hydrochloride
- IUPAC
- 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine;hydrochloride
Names & synonyms
as-Triazine, 1,4,5,6-tetrahydro-1-methyl-3-phenethyl-, hydrochloride22201-99-6DTXSID601767501,4,5,6-Tetrahydro-1-methyl-3-phenethyl-as-triazine hydrochloride1-Methyl-3-phenethyl-1,4,5,6-tetrahydro-as-triazine hydrochlorideas-Triazine, 1-methyl-3-phenethyl-1,4,5,6-tetrahydro-, hydrochlorideRefChem:320092DTXCID40992411-Methyl-3-(2-phenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine--hydrogen chloride (1/1)
Database identifiers
- CAS
22201-99-6- PubChem CID
- 89629
- DTXSID
DTXSID60176750
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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