N,N-dimethyl-4-[(E)-(4-nitro-1-naphthyl)diazenyl]aniline

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Basic information

CAS: 1081550-07-3
Standard SMILES: CN(C)c1ccc(N=Nc2ccc([N+](=O)[O-])c3ccccc23)cc1
InChIKey: VOSGNALGSGFEIO-UHFFFAOYSA-N
Molecular formula: C18H16N4O2
Average molar mass: 320.3 g/mol
Monoisotopic mass: 320.12732577

Names & identifiers

Preferred name: N,N-dimethyl-4-[(E)-(4-nitro-1-naphthyl)diazenyl]aniline
IUPAC: N,N-dimethyl-4-[(4-nitronaphthalen-1-yl)diazenyl]aniline

Names & synonyms

N,N-dimethyl-4-[(E)-(4-nitro-1-naphthyl)diazenyl]anilineDTXSID401040722AKOS0243397071081550-07-3N,N-dimethyl-4-(4-nitronaphthalen-1-ylazo)-phenylamineBenzenamine, N,N-dimethyl-4-[(1E)-2-(4-nitro-1-naphthalenyl)diazenyl]-

Database identifiers

CAS: 1081550-07-3
PubChem CID: 5163604
DTXSID: DTXSID401040722

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 73.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 454

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Compound notes

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