2-N,4-N-didodecyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine

HCID 33394

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Basic information

CAS: 26235-01-8
Standard SMILES: CCCCCCCCCCCCNc1nc(NCCCCCCCCCCCC)nc(C(Cl)(Cl)Cl)n1
InChIKey: FBVWWBDCUKLFFN-UHFFFAOYSA-N
Molecular formula: C28H52Cl3N5
Average molar mass: 565.1 g/mol
Monoisotopic mass: 563.32883

Names & identifiers

Preferred name: 2-N,4-N-didodecyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
IUPAC: 2-N,4-N-didodecyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine

Names & synonyms

2-N,4-N-didodecyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine26235-01-8DTXSID80275032N~2~,N~4~-Didodecyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine

Database identifiers

CAS: 26235-01-8
PubChem CID: 33394
DTXSID: DTXSID80275032
Nikkaji: J1.613.071K

Properties

Computed structural properties

XLogP: 13.4
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 24
Heavy atoms: 36
Formal charge: 0
Complexity: 445

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