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915924-03-7 molecular structure
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ethyl[2-(3-methylphenoxy)ethyl]amine

ChemBase ID: 312330
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
c1c(OCCNCC)cccc1C
Canonical SMILES:
CCNCCOc1cccc(c1)C
InChI:
InChI=1S/C11H17NO/c1-3-12-7-8-13-11-6-4-5-10(2)9-11/h4-6,9,12H,3,7-8H2,1-2H3
InChIKey:
PPYRVRRMYRNNML-UHFFFAOYSA-N

Cite this record

CBID:312330 http://www.chembase.cn/molecule-312330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl[2-(3-methylphenoxy)ethyl]amine
IUPAC Traditional name
ethyl[2-(3-methylphenoxy)ethyl]amine
Synonyms
N-ethyl-2-(3-methylphenoxy)ethanamine
CAS Number
915924-03-7
MDL Number
MFCD08691900

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -0.86437625  LogD (pH = 7.4) 0.15548149 
Log P 2.3214004  Molar Refractivity 55.0354 cm3
Polarizability 21.684027 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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