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15799-79-8 molecular structure
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3-methoxy-N,N-dimethylaniline

ChemBase ID: 86258
Molecular Formular: C9H13NO
Molecular Mass: 151.20562
Monoisotopic Mass: 151.09971404
SMILES and InChIs

SMILES:
N(c1cc(ccc1)OC)(C)C
Canonical SMILES:
COc1cccc(c1)N(C)C
InChI:
InChI=1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
InChIKey:
MOYHVSKDHLMMPS-UHFFFAOYSA-N

Cite this record

CBID:86258 http://www.chembase.cn/molecule-86258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-N,N-dimethylaniline
IUPAC Traditional name
3-methoxy-N,N-dimethylaniline
Synonyms
3-(Dimethylamino)anisole
N,N-Dimethyl-m-anisidine
3-Methoxy-N,N-dimethylaniline
N,N-Dimethyl-3-methoxyaniline
3-甲氧基-N,N-二甲基苯胺
CAS Number
15799-79-8
MDL Number
MFCD00051779
Beilstein Number
1423591
PubChem SID
162073374
PubChem CID
139977

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 139977 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9130349  LogD (pH = 7.4) 1.9234836 
Log P 1.9236184  Molar Refractivity 46.9498 cm3
Polarizability 17.6736 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
113-114°C/6mm expand Show data source
Density
1.031 expand Show data source
Refractive Index
1.5590 expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN2810 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H331-H302-H312 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P321-P405-P501A expand Show data source
Purity
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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