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945983-90-4 molecular structure
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[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine

ChemBase ID: 265864
Molecular Formular: C10H16N2O
Molecular Mass: 180.24684
Monoisotopic Mass: 180.12626314
SMILES and InChIs

SMILES:
c1(c(c(cnc1CNC)C)OC)C
Canonical SMILES:
CNCc1ncc(c(c1C)OC)C
InChI:
InChI=1S/C10H16N2O/c1-7-5-12-9(6-11-3)8(2)10(7)13-4/h5,11H,6H2,1-4H3
InChIKey:
QHIBLHAKBKSQMB-UHFFFAOYSA-N

Cite this record

CBID:265864 http://www.chembase.cn/molecule-265864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine
IUPAC Traditional name
[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine
Synonyms
[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylmethanamine
CAS Number
945983-90-4
MDL Number
MFCD08741876
PubChem SID
164321774
PubChem CID
28399741

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28399741 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -1.4294438  LogD (pH = 7.4) 0.21727328 
Log P 1.2645656  Molar Refractivity 53.1725 cm3
Polarizability 20.683205 Å3 Polar Surface Area 34.15 Å2

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.381 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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