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869942-62-1 molecular structure
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[(4-ethoxyphenyl)methyl](propyl)amine

ChemBase ID: 312414
Molecular Formular: C12H19NO
Molecular Mass: 193.28536
Monoisotopic Mass: 193.14666423
SMILES and InChIs

SMILES:
c1(ccc(cc1)CNCCC)OCC
Canonical SMILES:
CCCNCc1ccc(cc1)OCC
InChI:
InChI=1S/C12H19NO/c1-3-9-13-10-11-5-7-12(8-6-11)14-4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKey:
MBSKUJLYIMXZBH-UHFFFAOYSA-N

Cite this record

CBID:312414 http://www.chembase.cn/molecule-312414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-ethoxyphenyl)methyl](propyl)amine
IUPAC Traditional name
[(4-ethoxyphenyl)methyl](propyl)amine
Synonyms
(4-ethoxybenzyl)propylamine
CAS Number
869942-62-1
MDL Number
MFCD04526889

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) -0.5972014  LogD (pH = 7.4) 0.24850902 
Log P 2.6100616  Molar Refractivity 59.7904 cm3
Polarizability 23.60538 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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