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2481-94-9 molecular structure
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N,N-diethyl-4-[(E)-2-phenyldiazen-1-yl]aniline

ChemBase ID: 128710
Molecular Formular: C16H19N3
Molecular Mass: 253.34216
Monoisotopic Mass: 253.15789762
SMILES and InChIs

SMILES:
N(=N\c1ccc(N(CC)CC)cc1)/c1ccccc1
Canonical SMILES:
CCN(c1ccc(cc1)/N=N/c1ccccc1)CC
InChI:
InChI=1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
InChIKey:
SJJISKLXUJVZOA-ISLYRVAYSA-N

Cite this record

CBID:128710 http://www.chembase.cn/molecule-128710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-4-[(E)-2-phenyldiazen-1-yl]aniline
N,N-diethyl-4-(2-phenyldiazen-1-yl)aniline
IUPAC Traditional name
C.I. solvent yellow 56
oil yellow DE
Synonyms
Solvent yellow 56
C.I. 11021
Oil Yellow DE
4-(Diethylamino)azobenzene
4-二乙基氨基偶氮苯
CAS Number
2481-94-9
EC Number
219-616-8
MDL Number
MFCD00009043
PubChem SID
162223016
PubChem CID
17204
Chemspider ID
16286
Wikipedia Title
Oil_Yellow_DE

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1649547  LogD (pH = 7.4) 5.2003293 
Log P 5.2007995  Molar Refractivity 84.3028 cm3
Polarizability 30.098648 Å3 Polar Surface Area 27.96 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
168 °C expand Show data source
93-96°C expand Show data source
RTECS
CX9871000 expand Show data source
Risk Statements
68 expand Show data source
Safety Statements
36/37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Hazard statements
H341 expand Show data source
GHS Precautionary statements
P281-P201-P202-P308+P313-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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