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N,N-Dimethyl-4-((m-nitrophenyl)azo)-o-toluidine

HCID 20309
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Basic information

CAS
4313-14-8
Standard SMILES
Cc1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1N(C)C
InChIKey
XTRHCXVROUJEFC-UHFFFAOYSA-N
Molecular formula
C15H16N4O2
Average molar mass
284.31 g/mol
Monoisotopic mass
284.12732577

Names & identifiers

Preferred name
N,N-Dimethyl-4-((m-nitrophenyl)azo)-o-toluidine
IUPAC
N,N,2-trimethyl-4-[(3-nitrophenyl)diazenyl]aniline

Names & synonyms

N,N-Dimethyl-4-((m-nitrophenyl)azo)-o-toluidine4313-14-8N,N,2-trimethyl-4-[(3-nitrophenyl)diazenyl]anilineo-Toluidine, N,N-dimethyl-4-((m-nitrophenyl)azo)-SCHEMBL4959900SCHEMBL4959902DTXSID70871906

Database identifiers

CAS
4313-14-8
PubChem CID
20309
DTXSID
DTXSID70871906
Nikkaji
J1.560.363A

Properties

Computed structural properties

XLogP
4
Topological polar surface area
73.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
380

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