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120351-95-3 molecular structure
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1-(2-aminoethoxy)-4-propylbenzene

ChemBase ID: 308030
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
c1(ccc(cc1)CCC)OCCN
Canonical SMILES:
CCCc1ccc(cc1)OCCN
InChI:
InChI=1S/C11H17NO/c1-2-3-10-4-6-11(7-5-10)13-9-8-12/h4-7H,2-3,8-9,12H2,1H3
InChIKey:
OGVHYWKBTXTLJW-UHFFFAOYSA-N

Cite this record

CBID:308030 http://www.chembase.cn/molecule-308030.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethoxy)-4-propylbenzene
IUPAC Traditional name
1-(2-aminoethoxy)-4-propylbenzene
Synonyms
2-(4-propylphenoxy)ethanamine
CAS Number
120351-95-3
MDL Number
MFCD07754712

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5404484  LogD (pH = 7.4) 0.5651898 
Log P 2.4211495  Molar Refractivity 54.7142 cm3
Polarizability 21.682318 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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