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80364-69-8 molecular structure
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(3-methoxy-2-propoxyphenyl)methanamine

ChemBase ID: 308050
Molecular Formular: C11H17NO2
Molecular Mass: 195.25818
Monoisotopic Mass: 195.12592879
SMILES and InChIs

SMILES:
c1(c(CN)cccc1OC)OCCC
Canonical SMILES:
CCCOc1c(CN)cccc1OC
InChI:
InChI=1S/C11H17NO2/c1-3-7-14-11-9(8-12)5-4-6-10(11)13-2/h4-6H,3,7-8,12H2,1-2H3
InChIKey:
VXSLHHFERMFXCM-UHFFFAOYSA-N

Cite this record

CBID:308050 http://www.chembase.cn/molecule-308050.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-methoxy-2-propoxyphenyl)methanamine
IUPAC Traditional name
(3-methoxy-2-propoxyphenyl)methanamine
Synonyms
(3-methoxy-2-propoxybenzyl)amine
CAS Number
80364-69-8
MDL Number
MFCD07754794

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) -1.2153169  LogD (pH = 7.4) 0.16120985 
Log P 1.663002  Molar Refractivity 56.7304 cm3
Polarizability 22.412504 Å3 Polar Surface Area 44.48 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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