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677349-96-1 molecular structure
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methyl[(2-methylpyridin-3-yl)methyl]amine

ChemBase ID: 814699
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
C(NC)c1c(nccc1)C
Canonical SMILES:
Cc1ncccc1CNC
InChI:
InChI=1S/C8H12N2/c1-7-8(6-9-2)4-3-5-10-7/h3-5,9H,6H2,1-2H3
InChIKey:
GMVYJUKSDIHVJY-UHFFFAOYSA-N

Cite this record

CBID:814699 http://www.chembase.cn/molecule-814699.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(2-methylpyridin-3-yl)methyl]amine
IUPAC Traditional name
methyl[(2-methylpyridin-3-yl)methyl]amine
Synonyms
N-methyl-1-(2-methylpyridin-3-yl)methanamine
CAS Number
677349-96-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36925 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36925 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6994517  LogD (pH = 7.4) -1.4310133 
Log P 0.44529238  Molar Refractivity 41.7406 cm3
Polarizability 16.417492 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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