1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(3-(3-nitrophenoxy)propoxy)phenyl)-
Basic information
- CAS
151648-42-9- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCOc2cccc([N+](=O)[O-])c2)c1- InChIKey
RWKJNXZSLJHMOW-UHFFFAOYSA-N- Molecular formula
- C20H24N6O4
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.18590327
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(3-(3-nitrophenoxy)propoxy)phenyl)-
- IUPAC
- 6,6-dimethyl-1-[3-[3-(3-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
151648-42-9NSC 1117271,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-(3-(3-nitrophenoxy)propoxy)phenyl)-NSC1117276,6-dimethyl-1-[3-[3-(3-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[3-[3-(3-nitrophenoxy)propoxy]phenyl]-DTXSID801648316,6-Dimethyl-1-{3-[3-(3-nitrophenoxy)propoxy]phenyl}-1,6-dihydro-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
151648-42-9- PubChem CID
- 419181
- DTXSID
DTXSID80164831
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 662
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Compound notes
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