Basic information
- CAS
22201-93-0- Standard SMILES
Clc1ccc(C(C2=NCCNN2)c2ccccc2)cc1- InChIKey
CYVJNUPECIMGIT-UHFFFAOYSA-N- Molecular formula
- C16H16ClN3
- Average molar mass
- 285.77 g/mol
- Monoisotopic mass
- 285.1032752
Names & identifiers
- Preferred name
- as-Triazine, 1,4,5,6-tetrahydro-3-(p-chlorodiphenylmethyl)-
- IUPAC
- 3-[(4-chlorophenyl)-phenylmethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
- English name
- 3-(p-Chloro-α-phenylbenzyl)-1,4,5,6-tetrahydro-1,2,4-triazine
- Molecular formula
- C16H16ClN3
- Molecular weight
- 285.77134
Names & synonyms
BRN 158387522201-93-0as-Triazine, 3-(p-chloro-alpha-phenylbenzyl)-1,4,5,6-tetrahydro-1,4,5,6-Tetrahydro-3-(p-chlorodiphenylmethyl)-as-triazine3-(p-Chlorodiphenylmethyl)-1,4,5,6-tetrahydro-as-triazineas-Triazine, 1,4,5,6-tetrahydro-3-(p-chlorodiphenylmethyl)-as-Triazine, 3-(p-chlorodiphenylmethyl)-1,4,5,6-tetrahydro-RefChem:3200973-[(4-chlorophenyl)(phenyl)methyl]-1,2,5,6-tetrahydro-1,2,4-triazineDTXSID409448583-(p-Chloro-α-phenylbenzyl)-1,4,5,6-tetrahydro-1,2,4-triazine3-(4-Chloro-α-phenylbenzyl)-1,4,5,6-tetrahydro-1,2,4-triazine
Database identifiers
- CAS
22201-93-0- PubChem CID
- 90753
- DTXSID
DTXSID40944858- Nikkaji
- J49.135G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…