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5769-32-4 molecular structure
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4-chloro-2,6-dimethylaniline hydrochloride

ChemBase ID: 293935
Molecular Formular: C8H11Cl2N
Molecular Mass: 192.08564
Monoisotopic Mass: 191.02685472
SMILES and InChIs

SMILES:
Cl.Cc1cc(Cl)cc(C)c1N
Canonical SMILES:
Clc1cc(C)c(c(c1)C)N.Cl
InChI:
InChI=1S/C8H10ClN.ClH/c1-5-3-7(9)4-6(2)8(5)10;/h3-4H,10H2,1-2H3;1H
InChIKey:
MHTIYKGRFKCWAU-UHFFFAOYSA-N

Cite this record

CBID:293935 http://www.chembase.cn/molecule-293935.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2,6-dimethylaniline hydrochloride
IUPAC Traditional name
4-chloro-2,6-dimethylaniline hydrochloride
Synonyms
4-Chloro-2,6-xylidine hydrochloride
4-Chloro-2,6-dimethylaniline hydrochloride
4-Chloro-2,6-dimethylaniline hydrochloride
4-氯-2,6-二甲基苯胺盐酸盐
CAS Number
5769-32-4
MDL Number
MFCD00671703
PubChem SID
180679466
PubChem CID
18406981

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18406981 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7724557  LogD (pH = 7.4) 2.7751725 
Log P 2.7752073  Molar Refractivity 45.6456 cm3
Polarizability 16.844906 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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