Home > Compound List > Compound details
492-80-8 molecular structure
click picture or here to close

4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline

ChemBase ID: 105910
Molecular Formular: C17H21N3
Molecular Mass: 267.36874
Monoisotopic Mass: 267.17354769
SMILES and InChIs

SMILES:
CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C
Canonical SMILES:
CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C
InChI:
InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
InChIKey:
JPIYZTWMUGTEHX-UHFFFAOYSA-N

Cite this record

CBID:105910 http://www.chembase.cn/molecule-105910.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
IUPAC Traditional name
auramine
4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
Synonyms
4,4′-Dimethylaminobenzophenone imine
Solvent Yellow 34
Auramine
C.I. 41000
4,4'-(Imidocarbonyl)Bis(N,N'-Dimethyl-Amine) Monohydrochloride
AURAMINE O
N-{4-[[4-(dimethylamino)phenyl](imino)methyl]phenyl}-N,N-dimethylamine
4,4'-二甲基氨基二苯甲酮亚胺
溶剂黄 34
碱性嫩黄
CAS Number
492-80-8
2465-27-2
EC Number
207-762-5
219-567-2
MDL Number
MFCD00036224
Beilstein Number
2215338
PubChem SID
162088991
PubChem CID
10298
Color Index Number
41000B

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10298 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.49521518  LogD (pH = 7.4) 2.050234 
Log P 3.661348  Molar Refractivity 97.9627 cm3
Polarizability 32.154728 Å3 Polar Surface Area 30.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
250 - 252°C expand Show data source
Hydrophobicity(logP)
3.416 expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
BY3500000 expand Show data source
BY3675000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
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
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
22-36-40-51/53 expand Show data source
R:45-36/37/38 expand Show data source
Safety Statements
36/37-61 expand Show data source
S:28-29-36/37/39-45-53 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319-H351-H411 expand Show data source
GHS Precautionary statements
P273-P281-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, 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
Purity
≥97.0% (HPLC) expand Show data source
95% expand Show data source
Grade
analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C17H21N3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02195064 external link
C.I. 41000
Fluorescent stain for acid resistant bacteria in sputum or paraffin

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Stain Technol. , 7 : 70, (1931).
  • • SUSPECTED CARCINOGEN
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle