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823-61-0 molecular structure
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3,6-dimethylpyridin-2-amine

ChemBase ID: 290036
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
Cc1ccc(C)c(N)n1
Canonical SMILES:
Cc1ccc(c(n1)N)C
InChI:
InChI=1S/C7H10N2/c1-5-3-4-6(2)9-7(5)8/h3-4H,1-2H3,(H2,8,9)
InChIKey:
HWMKUXXLKIOVQZ-UHFFFAOYSA-N

Cite this record

CBID:290036 http://www.chembase.cn/molecule-290036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6-dimethylpyridin-2-amine
IUPAC Traditional name
3,6-dimethylpyridin-2-amine
Synonyms
3,6-Dimethyl-2-pyridinamine
CAS Number
823-61-0
MDL Number
MFCD06637718
PubChem SID
180675567
PubChem CID
578956

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD22740 Please log in.
Data Source Data ID
PubChem 578956 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6789467  LogD (pH = 7.4) 0.4995592 
Log P 1.1658965  Molar Refractivity 38.5477 cm3
Polarizability 14.100299 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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