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1189881-28-4 molecular structure
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1-(2-aminoethoxy)-2-(2H3)methoxybenzene

ChemBase ID: 160070
Molecular Formular: C9H13NO2
Molecular Mass: 167.20502
Monoisotopic Mass: 167.09462866
SMILES and InChIs

SMILES:
c1cccc(c1OCCN)OC
Canonical SMILES:
NCCOc1ccccc1OC
InChI:
InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3
InChIKey:
CKJRKLKVCHMWLV-UHFFFAOYSA-N

Cite this record

CBID:160070 http://www.chembase.cn/molecule-160070.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethoxy)-2-(2H3)methoxybenzene
IUPAC Traditional name
1-(2-aminoethoxy)-2-(2H3)methoxybenzene
Synonyms
2-(3-Methoxyphenoxy)ethanamine-d3
2-(2-Aminoethoxy)anisole-d3
CAS Number
1189881-28-4
PubChem SID
162254205
PubChem CID
46780264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A608812 external link Add to cart
PubChem 46780264 external link
Data Source Data ID Price
TRC
A608812 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1006682  LogD (pH = 7.4) -0.99497885 
Log P 0.8609195  Molar Refractivity 46.9342 cm3
Polarizability 18.73203 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
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Light-Yellow Oil 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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