4-[(4-nitrophenyl)diazenyl]-N-octadecylaniline

HCID 4607779

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Basic information

CAS: 85342-69-4
Standard SMILES: CCCCCCCCCCCCCCCCCCNc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
InChIKey: RXBZEYHTOXGBMM-UHFFFAOYSA-N
Molecular formula: C30H46N4O2
Average molar mass: 494.7 g/mol
Monoisotopic mass: 494.36207672

Names & identifiers

Preferred name: 4-[(4-nitrophenyl)diazenyl]-N-octadecylaniline
IUPAC: 4-[(4-nitrophenyl)diazenyl]-N-octadecylaniline

Names & synonyms

85342-69-4(E)-4-((4-nitrophenyl)diazenyl)-N-octadecylaniline1-{4-nitrophenyl}-2-[4-(octadecylamino)phenyl]diazene4-[(4-nitrophenyl)diazenyl]-N-octadecylanilineAA-516/33241038DTXSID901040272Benzenamine, 4-[2-(4-nitrophenyl)diazenyl]-N-octadecyl-

Database identifiers

CAS: 85342-69-4
PubChem CID: 4607779
DTXSID: DTXSID901040272
Nikkaji: J1.067.020I

Properties

Computed structural properties

XLogP: 12.3
Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 20
Heavy atoms: 36
Formal charge: 0
Complexity: 550

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