WR-99662

HCID 97522

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Basic information

CAS: 29622-48-8
Standard SMILES: CN(C)CCCNc1nc(-c2cccc(C(Cl)(Cl)Cl)c2)nc(C(Cl)(Cl)Cl)n1
InChIKey: SDSMMBWQNDFCEX-UHFFFAOYSA-N
Molecular formula: C16H17Cl6N5
Average molar mass: 492 g/mol
Monoisotopic mass: 488.961512

Names & identifiers

Preferred name: WR-99662
IUPAC: N',N'-dimethyl-N-[4-(trichloromethyl)-6-[3-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]propane-1,3-diamine
English name: N,N-Dimethyl-N'-[4-(trichloromethyl)-6-[3-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]-1,3-propanediamine
Molecular weight: 0

Names & synonyms

29622-48-8WR-9966281N2ECC707NSC-129410RefChem:1101065NSC 129410WR 99,662WR 996621,3-Propanediamine, N,N-dimethyl-N'-(4-(trichloromethyl)-6-(3-(trichloromethyl)phenyl)-1,3,5-triazin-2-yl)-s-Triazine, 2-((3-(dimethylamino)propyl)amino)-4-(trichloromethyl)-6-(.alpha.,.alpha.,.alpha.-trichloro-m-tolyl)-s-Triazine, 2-(3-(dimethylamino)propylamino)-4-(trichloromethyl)-6-(alpha,alpha,alpha-trichloro-m-tolyl)-UNII-81N2ECC707

Show more names

N,N-Dimethyl-N'-[4-(trichloromethyl)-6-[3-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]-1,3-propanediamine

SCHEMBL19873495DTXSID60183808SDSMMBWQNDFCEX-UHFFFAOYSA-NNSC129410s-Triazine,.alpha.,.alpha.-trichloro-m-tolyl)-1, N,N-dimethyl-N'-[4-(trichloromethyl)-6-[3-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]-1,3-PROPANEDIAMINE, N1,N1-DIMETHYL-N3-(4-(TRICHLOROMETHYL)-6-(3-(TRICHLOROMETHYL)PHENYL)-1,3,5-TRIAZIN-2-YL)-2-[[3-[Dimethylamino]propyl]amino]-4-[trichloromethyl]-6-[.alpha.,.alpha.,.alpha.-trichloro-m-tolyl]-S-triazine

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 53.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 456

Physicochemical properties

FDA UNII: 81 N2ECC707 · 81N2ECC707

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