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162103646 molecular structure
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N,N-dimethyl-4-[(E)-2-(2-nitrophenyl)diazen-1-yl]aniline

ChemBase ID: 71590
Molecular Formular: C14H14N4O2
Molecular Mass: 270.28656
Monoisotopic Mass: 270.11167571
SMILES and InChIs

SMILES:
[N+](=O)(c1c(/N=N/c2ccc(N(C)C)cc2)cccc1)[O-]
Canonical SMILES:
CN(c1ccc(cc1)/N=N/c1ccccc1[N+](=O)[O-])C
InChI:
InChI=1S/C14H14N4O2/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18(19)20/h3-10H,1-2H3/b16-15+
InChIKey:
AZQHHHBFJVTYJU-FOCLMDBBSA-N

Cite this record

CBID:71590 http://www.chembase.cn/molecule-71590.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-4-[(E)-2-(2-nitrophenyl)diazen-1-yl]aniline
IUPAC Traditional name
N,N-dimethyl-4-[(E)-2-(2-nitrophenyl)diazen-1-yl]aniline
Synonyms
N,N-Dimethyl-4-[(E)-(2-nitrophenyl)-diazenyl]aniline
PubChem SID
162103646
PubChem CID
18166

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 18166 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4220276  LogD (pH = 7.4) 4.4271026 
Log P 4.4271674  Molar Refractivity 82.1303 cm3
Polarizability 28.251633 Å3 Polar Surface Area 73.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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