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915920-87-5 molecular structure
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ethyl[2-(4-methylphenoxy)ethyl]amine

ChemBase ID: 312505
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
c1(ccc(cc1)C)OCCNCC
Canonical SMILES:
CCNCCOc1ccc(cc1)C
InChI:
InChI=1S/C11H17NO/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKey:
YIYRHGHGFBFCDR-UHFFFAOYSA-N

Cite this record

CBID:312505 http://www.chembase.cn/molecule-312505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl[2-(4-methylphenoxy)ethyl]amine
IUPAC Traditional name
ethyl[2-(4-methylphenoxy)ethyl]amine
Synonyms
N-ethyl-2-(4-methylphenoxy)ethanamine
CAS Number
915920-87-5
MDL Number
MFCD08691946

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) -0.86555856  LogD (pH = 7.4) 0.14653942 
Log P 2.3214004  Molar Refractivity 55.0354 cm3
Polarizability 21.683342 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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