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4766-09-0 molecular structure
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ethyl[2-(2-methoxyphenoxy)ethyl]amine

ChemBase ID: 312303
Molecular Formular: C11H17NO2
Molecular Mass: 195.25818
Monoisotopic Mass: 195.12592879
SMILES and InChIs

SMILES:
c1(c(OCCNCC)cccc1)OC
Canonical SMILES:
CCNCCOc1ccccc1OC
InChI:
InChI=1S/C11H17NO2/c1-3-12-8-9-14-11-7-5-4-6-10(11)13-2/h4-7,12H,3,8-9H2,1-2H3
InChIKey:
KVFTZNUFVREYKY-UHFFFAOYSA-N

Cite this record

CBID:312303 http://www.chembase.cn/molecule-312303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl[2-(2-methoxyphenoxy)ethyl]amine
IUPAC Traditional name
ethyl[2-(2-methoxyphenoxy)ethyl]amine
Synonyms
N-ethyl-2-(2-methoxyphenoxy)ethanamine
CAS Number
4766-09-0
MDL Number
MFCD08691888

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9070636 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) -1.5301826  LogD (pH = 7.4) -0.47749698 
Log P 1.6503078  Molar Refractivity 56.4574 cm3
Polarizability 22.417082 Å3 Polar Surface Area 30.49 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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