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959238-90-5 molecular structure
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[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amine

ChemBase ID: 307929
Molecular Formular: C9H14N2O
Molecular Mass: 166.22026
Monoisotopic Mass: 166.11061308
SMILES and InChIs

SMILES:
n1c(C(NC)COC)cccc1
Canonical SMILES:
COCC(c1ccccn1)NC
InChI:
InChI=1S/C9H14N2O/c1-10-9(7-12-2)8-5-3-4-6-11-8/h3-6,9-10H,7H2,1-2H3
InChIKey:
CIVVDUQQGKBETN-UHFFFAOYSA-N

Cite this record

CBID:307929 http://www.chembase.cn/molecule-307929.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amine
IUPAC Traditional name
[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amine
Synonyms
(2-methoxy-1-pyridin-2-ylethyl)methylamine
CAS Number
959238-90-5
MDL Number
MFCD09864439

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) -1.7779799  LogD (pH = 7.4) -0.05404383 
Log P 0.5603749  Molar Refractivity 47.4157 cm3
Polarizability 19.010479 Å3 Polar Surface Area 34.15 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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