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709651-39-8 molecular structure
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[(2-ethoxyphenyl)methyl](methyl)amine

ChemBase ID: 312568
Molecular Formular: C10H15NO
Molecular Mass: 165.2322
Monoisotopic Mass: 165.11536411
SMILES and InChIs

SMILES:
c1(c(OCC)cccc1)CNC
Canonical SMILES:
CNCc1ccccc1OCC
InChI:
InChI=1S/C10H15NO/c1-3-12-10-7-5-4-6-9(10)8-11-2/h4-7,11H,3,8H2,1-2H3
InChIKey:
FLYYNTJSTFWALY-UHFFFAOYSA-N

Cite this record

CBID:312568 http://www.chembase.cn/molecule-312568.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-ethoxyphenyl)methyl](methyl)amine
IUPAC Traditional name
[(2-ethoxyphenyl)methyl](methyl)amine
Synonyms
(2-ethoxybenzyl)methylamine
CAS Number
709651-39-8
MDL Number
MFCD04522952

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9071585 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3383423  LogD (pH = 7.4) 0.08000927 
Log P 1.7307314  Molar Refractivity 50.5178 cm3
Polarizability 19.91294 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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