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125470-84-0 molecular structure
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1-(2-aminoethoxy)-4-phenylbenzene

ChemBase ID: 306436
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
c1(c2ccccc2)ccc(cc1)OCCN
Canonical SMILES:
NCCOc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C14H15NO/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11,15H2
InChIKey:
BSDBRFAGCUJYJG-UHFFFAOYSA-N

Cite this record

CBID:306436 http://www.chembase.cn/molecule-306436.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethoxy)-4-phenylbenzene
IUPAC Traditional name
1-(2-aminoethoxy)-4-phenylbenzene
Synonyms
2-(biphenyl-4-yloxy)ethanamine
CAS Number
125470-84-0
MDL Number
MFCD06245965

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2957818  LogD (pH = 7.4) 0.8098564 
Log P 2.665816  Molar Refractivity 65.6072 cm3
Polarizability 27.287323 Å3 Polar Surface Area 35.25 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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