Home > Compound List > Compound details
60-11-7 molecular structure
click picture or here to close

N,N-dimethyl-4-[(E)-2-phenyldiazen-1-yl]aniline

ChemBase ID: 128345
Molecular Formular: C14H15N3
Molecular Mass: 225.289
Monoisotopic Mass: 225.1265975
SMILES and InChIs

SMILES:
N(=N\c1ccccc1)/c1ccc(N(C)C)cc1
Canonical SMILES:
CN(c1ccc(cc1)/N=N/c1ccccc1)C
InChI:
InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+
InChIKey:
JCYPECIVGRXBMO-FOCLMDBBSA-N

Cite this record

CBID:128345 http://www.chembase.cn/molecule-128345.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-4-[(E)-2-phenyldiazen-1-yl]aniline
N,N-dimethyl-4-(2-phenyldiazen-1-yl)aniline
IUPAC Traditional name
dimethylaminoazobenzene
fat yellow
Synonyms
Dimethyl yellow
Butter Yellow
Solvent Yellow 2, C.I. 11020
Methyl yellow
4-Dimethylaminoazobenzene
DAe
N,N-Dimethyl-4-phenylazoaniline
N,N-Dimethyl-4-aminoazobenzene
Butter Yelloe
4-(Dimethylamino)azobenzene
N,N-Dimethyl-4-(phenylazo)aniline
Butter yellow
Methyl yellow
Dimethyl yellow
C.I. 11020
Methyl Yellow, indicator
N,N-dimethyl-4-[(E)-2-phenyldiazen-1-yl]aniline
二甲基黄
奶油黄
4-(二甲氨基)偶氮苯
N,N-二甲基-4-(苯偶氮基)苯胺
奶油黄
甲基黄
二甲基黄
甲基黄
CAS Number
60-11-7
EC Number
200-455-7
MDL Number
MFCD00008308
Beilstein Number
746016
Merck Index
143229
PubChem SID
24859947
162222653
PubChem CID
6053
CHEMBL
263116
Chemspider ID
5829
Unique Ingredient Identifier
A49L8E13FD
Wikipedia Title
Methyl_yellow
Color Index Number
11020

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4819484  LogD (pH = 7.4) 4.487117 
Log P 4.4871836  Molar Refractivity 74.8056 cm3
Polarizability 26.406681 Å3 Polar Surface Area 27.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
13.6 mg.l-1 in water expand Show data source
Insoluble in water. Soluble in alcohol. expand Show data source
Apperance
Yellow crystals expand Show data source
Melting Point
110-112°C dec. expand Show data source
111 - 113°C expand Show data source
111 °C (dec.)(lit.) expand Show data source
116 °C (decomp.) expand Show data source
Partition Coefficient
4.58 expand Show data source
Hydrophobicity(logP)
4.46 expand Show data source
RTECS
BX7350000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
25-40 expand Show data source
R25, R40 expand Show data source
Safety Statements
36/37-45 expand Show data source
S36/37, S45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Toxic (T) expand Show data source
NFPA704
NFPA 704 diagram
1
2
0
expand Show data source
GHS Hazard statements
H301-H351 expand Show data source
GHS Precautionary statements
P281-P301 + P310 expand Show data source
P281-P301+P310-P321-P308+P313-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
95% expand Show data source
Grade
analytical standard expand Show data source
indicator expand Show data source
JIS special grade expand Show data source
Suitability
complies for change expand Show data source
complies for TLC expand Show data source
Linear Formula
C6H5N=NC6H4N(CH3)2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 33129 external link
General description
Visit our Titration Center to learn more.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle