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52505-13-2 molecular structure
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[(2-methoxyphenyl)methyl](3-methoxypropyl)amine

ChemBase ID: 306818
Molecular Formular: C12H19NO2
Molecular Mass: 209.28476
Monoisotopic Mass: 209.14157885
SMILES and InChIs

SMILES:
c1(c(OC)cccc1)CNCCCOC
Canonical SMILES:
COCCCNCc1ccccc1OC
InChI:
InChI=1S/C12H19NO2/c1-14-9-5-8-13-10-11-6-3-4-7-12(11)15-2/h3-4,6-7,13H,5,8-10H2,1-2H3
InChIKey:
FGXNVMYJKDGSOL-UHFFFAOYSA-N

Cite this record

CBID:306818 http://www.chembase.cn/molecule-306818.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-methoxyphenyl)methyl](3-methoxypropyl)amine
IUPAC Traditional name
[(2-methoxyphenyl)methyl](3-methoxypropyl)amine
Synonyms
(2-methoxybenzyl)(3-methoxypropyl)amine
CAS Number
52505-13-2
MDL Number
MFCD05863678

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) -1.7081661  LogD (pH = 7.4) -0.34437233 
Log P 1.3869076  Molar Refractivity 61.6781 cm3
Polarizability 24.2718 Å3 Polar Surface Area 30.49 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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