6-chloro-N,N'-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
62752-05-0- Standard SMILES
Cc1cccc(Nc2nc(Cl)nc(Nc3cccc(C)c3)n2)c1- InChIKey
CJURHQCDXDUZIA-UHFFFAOYSA-N- Molecular formula
- C17H16ClN5
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.1094232
Names & identifiers
- Preferred name
- 6-chloro-N,N'-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine
- English name
- AKOS BBS-00005388
- Molecular formula
- C17H16ClN5
- Molecular weight
- 325.8
Names & synonyms
62752-05-06-chloro-N,N'-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine6-Chloro-N2,N4-di-m-tolyl-1,3,5-triazine-2,4-diamineMFCD019558016-chloro-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamineZINC694231,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(3-methylphenyl)-6-chloro-N~2~,N~4~-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine6-CHLORO-N2,N4-BIS(3-METHYLPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE{4-chloro-6-[(3-methylphenyl)amino](1,3,5-triazin-2-yl)}(3-methylphenyl)amineZINC00069423Oprea1_807205
Show more names
ASISCHEM C340081,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(3-methylphenyl)-6-chloro-N(2),N(4)-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SCHEMBL1451302DTXSID90351275ALBB-022052AKOS BBS-00005388SBB041677STK006921AKOS000270324SB73269
Database identifiers
- CAS
62752-05-0- PubChem CID
- 695289
- DTXSID
DTXSID90351275- Nikkaji
- J2.229.757K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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