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1185293-36-0 molecular structure
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benzyl[(3-methylpyridin-2-yl)methyl]amine

ChemBase ID: 307009
Molecular Formular: C14H16N2
Molecular Mass: 212.29024
Monoisotopic Mass: 212.13134852
SMILES and InChIs

SMILES:
n1c(c(C)ccc1)CNCc1ccccc1
Canonical SMILES:
Cc1cccnc1CNCc1ccccc1
InChI:
InChI=1S/C14H16N2/c1-12-6-5-9-16-14(12)11-15-10-13-7-3-2-4-8-13/h2-9,15H,10-11H2,1H3
InChIKey:
FPYZKCNPEYNVAE-UHFFFAOYSA-N

Cite this record

CBID:307009 http://www.chembase.cn/molecule-307009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl[(3-methylpyridin-2-yl)methyl]amine
IUPAC Traditional name
benzyl[(3-methylpyridin-2-yl)methyl]amine
Synonyms
N-benzyl-1-(3-methylpyridin-2-yl)methanamine
CAS Number
1185293-36-0
MDL Number
MFCD08144089

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.21662675  LogD (pH = 7.4) 1.9475518 
Log P 2.6332886  Molar Refractivity 66.2807 cm3
Polarizability 26.053524 Å3 Polar Surface Area 24.92 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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