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50868-73-0 molecular structure
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2-methoxy-6-methylaniline

ChemBase ID: 144892
Molecular Formular: C8H11NO
Molecular Mass: 137.17904
Monoisotopic Mass: 137.08406398
SMILES and InChIs

SMILES:
Cc1cccc(c1N)OC
Canonical SMILES:
COc1cccc(c1N)C
InChI:
InChI=1S/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H3
InChIKey:
HKOJYPPTIPJZAZ-UHFFFAOYSA-N

Cite this record

CBID:144892 http://www.chembase.cn/molecule-144892.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-6-methylaniline
IUPAC Traditional name
2-methoxy-6-methylaniline
Synonyms
6-Methyl-o-anisidine
2-Methoxy-6-methylaniline
2-Methoxy-6-methylaniline
2-methoxy-6-methylphenylamine
6-甲基-邻茴香胺
2-甲氧基-6-甲基苯胺
CAS Number
50868-73-0
MDL Number
MFCD00075455
PubChem SID
24862144
162239104
PubChem CID
459249

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 459249 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4723964  LogD (pH = 7.4) 1.4997103 
Log P 1.50007  Molar Refractivity 42.2628 cm3
Polarizability 15.752966 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
26-29 °C(lit.) expand Show data source
Boiling Point
62 °C/0.15 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
98% expand Show data source
Linear Formula
CH3OC6H3(CH3)NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 360090 external link
Packaging
5, 25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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