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375397-36-7 molecular structure
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2,6-dimethoxyaniline hydrochloride

ChemBase ID: 75807
Molecular Formular: C8H12ClNO2
Molecular Mass: 189.63938
Monoisotopic Mass: 189.05565631
SMILES and InChIs

SMILES:
Nc1c(cccc1OC)OC.Cl
Canonical SMILES:
COc1cccc(c1N)OC.Cl
InChI:
InChI=1S/C8H11NO2.ClH/c1-10-6-4-3-5-7(11-2)8(6)9;/h3-5H,9H2,1-2H3;1H
InChIKey:
OSGARCFCWYJUTE-UHFFFAOYSA-N

Cite this record

CBID:75807 http://www.chembase.cn/molecule-75807.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethoxyaniline hydrochloride
IUPAC Traditional name
2,6-dimethoxyaniline hydrochloride
Synonyms
2,6-Dimethoxyaniline hydrochloride
CAS Number
375397-36-7
MDL Number
MFCD09878313
PubChem SID
162040725
PubChem CID
44118630

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44118630 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.999077  H Acceptors
H Donor LogD (pH = 5.5) 0.79065996 
LogD (pH = 7.4) 0.82847303  Log P 0.82897735 
Molar Refractivity 43.6848 cm3 Polarizability 16.506649 Å3
Polar Surface Area 44.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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