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6299-67-8 molecular structure
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2,3-dimethoxyaniline

ChemBase ID: 37167
Molecular Formular: C8H11NO2
Molecular Mass: 153.17844
Monoisotopic Mass: 153.0789786
SMILES and InChIs

SMILES:
c1(c(N)cccc1OC)OC
Canonical SMILES:
COc1c(OC)cccc1N
InChI:
InChI=1S/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,9H2,1-2H3
InChIKey:
HEZIOZBMPKPOER-UHFFFAOYSA-N

Cite this record

CBID:37167 http://www.chembase.cn/molecule-37167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethoxyaniline
IUPAC Traditional name
2,3-dimethoxyaniline
Synonyms
(2,3-Dimethoxyphenyl)amine
CAS Number
6299-67-8
MDL Number
MFCD00180769
PubChem SID
161000474
PubChem CID
239603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
039961 external link Add to cart Please log in.
Data Source Data ID
PubChem 239603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8140581  LogD (pH = 7.4) 0.82878625 
Log P 0.82897735  Molar Refractivity 43.6848 cm3
Polarizability 16.507187 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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