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82485-84-5 molecular structure
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2-chloro-4,6-dimethoxyaniline

ChemBase ID: 86144
Molecular Formular: C8H10ClNO2
Molecular Mass: 187.6235
Monoisotopic Mass: 187.04000625
SMILES and InChIs

SMILES:
Nc1c(cc(cc1OC)OC)Cl
Canonical SMILES:
COc1cc(OC)c(c(c1)Cl)N
InChI:
InChI=1S/C8H10ClNO2/c1-11-5-3-6(9)8(10)7(4-5)12-2/h3-4H,10H2,1-2H3
InChIKey:
IHGSJUGRPUIDRO-UHFFFAOYSA-N

Cite this record

CBID:86144 http://www.chembase.cn/molecule-86144.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4,6-dimethoxyaniline
IUPAC Traditional name
2-chloro-4,6-dimethoxyaniline
Synonyms
2-Chloro-4,6-dimethoxy-benzenamine
(2-Chloro-4,6-dimethoxyphenyl)amine
1-Amino-2-chloro-4,6-dimethoxybenzene
2-Chloro-4,6-dimethoxyaniline
CAS Number
82485-84-5
MDL Number
MFCD01567107
PubChem SID
162073260
PubChem CID
599119

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 599119 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4269884  LogD (pH = 7.4) 1.4329455 
Log P 1.433022  Molar Refractivity 48.4896 cm3
Polarizability 18.418547 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Dark Solid expand Show data source
Melting Point
44-45°C expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold/Light Sensitive expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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