N,N',N''-Tri(2-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
Basic information
- CAS
2272-28-8- Standard SMILES
Clc1ccccc1Nc1nc(Nc2ccccc2Cl)nc(Nc2ccccc2Cl)n1- InChIKey
BAUIBXDNTYQUAG-UHFFFAOYSA-N- Molecular formula
- C21H15Cl3N6
- Average molar mass
- 457.7 g/mol
- Monoisotopic mass
- 456.042378
Names & identifiers
- Preferred name
- N,N',N''-Tri(2-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
- IUPAC
- 2-N,4-N,6-N-tris(2-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
Names & synonyms
NSC575822272-28-8DTXSID80274580NSC-57582N,N',N''-Tri(2-chlorophenyl)-1,3,5-triazine-2,4,6-triamineN~2~,N~4~,N~6~-Tris(2-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
Database identifiers
- CAS
2272-28-8- PubChem CID
- 16762
- DTXSID
DTXSID80274580- Nikkaji
- J802.112K
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 446
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Compound notes
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