Basic information
- CAS
21038-21-1- Standard SMILES
CC(CC1=NCCNN1)c1ccccc1.Cl- InChIKey
KCMYEFRAPKTENH-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-3-(alpha-methylphenethyl)-, hydrochloride
- IUPAC
- 3-(2-phenylpropyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride
Names & synonyms
21038-21-1as-Triazine, 1,4,5,6-tetrahydro-3-(alpha-methylphenethyl)-, hydrochlorideRefChem:1077263as-Triazine, 3-(alpha-methylphenethyl)-1,4,5,6-tetrahydro-, hydrochlorideDTXSID209433441,4,5,6-Tetrahydro-3-(alpha-methylphenethyl)-as-triazine hydrochloride3-(alpha-Methylphenethyl)-1,4,5,6-tetrahydro-as-triazine hydrochloride3-(2-Phenylpropyl)-1,2,5,6-tetrahydro-1,2,4-triazine--hydrogen chloride (1/1)
Database identifiers
- CAS
21038-21-1- PubChem CID
- 89419
- DTXSID
DTXSID20943344
Properties
Computed structural properties
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 3
- 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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