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120998-51-8 molecular structure
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[3-(3-methoxyphenoxy)propyl](methyl)amine

ChemBase ID: 312684
Molecular Formular: C11H17NO2
Molecular Mass: 195.25818
Monoisotopic Mass: 195.12592879
SMILES and InChIs

SMILES:
c1c(OC)cccc1OCCCNC
Canonical SMILES:
CNCCCOc1cccc(c1)OC
InChI:
InChI=1S/C11H17NO2/c1-12-7-4-8-14-11-6-3-5-10(9-11)13-2/h3,5-6,9,12H,4,7-8H2,1-2H3
InChIKey:
UOZFEYHLCNJLAK-UHFFFAOYSA-N

Cite this record

CBID:312684 http://www.chembase.cn/molecule-312684.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(3-methoxyphenoxy)propyl](methyl)amine
IUPAC Traditional name
[3-(3-methoxyphenoxy)propyl](methyl)amine
Synonyms
3-(3-methoxyphenoxy)-N-methyl-1-propanamine
CAS Number
120998-51-8
MDL Number
MFCD08692002

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) -1.8700694  LogD (pH = 7.4) -1.2403392 
Log P 1.3534596  Molar Refractivity 56.5742 cm3
Polarizability 22.415606 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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