1,3,5-Triazine-2,4-diamine, 1-(3-(4-(3,4-dichlorophenyl)butyl)phenyl)-1,6-dihydro-6,6-dimethyl-
Basic information
- CAS
14052-51-8- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(Cl)c(Cl)c2)c1- InChIKey
QQDARIZFJMQFTB-UHFFFAOYSA-N- Molecular formula
- C21H25Cl2N5
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 417.1487012
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1-(3-(4-(3,4-dichlorophenyl)butyl)phenyl)-1,6-dihydro-6,6-dimethyl-
- IUPAC
- 1-[3-[4-(3,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
14052-51-8NSC 1041241,3,5-Triazine-2,4-diamine, 1-(3-(4-(3,4-dichlorophenyl)butyl)phenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-Triazine-2,4-diamine, 1-[3-[4-(3,4-dichlorophenyl)butyl]phenyl]-1,6-dihydro-6,6-dimethyl-DTXSID101614191-[3-[4-(3,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine1-{3-[4-(3,4-Dichlorophenyl)butyl]phenyl}-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
14052-51-8- PubChem CID
- 456129
- DTXSID
DTXSID10161419
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
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Compound notes
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