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162254456 molecular structure
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5-(2H3)methylpyridin-2-amine

ChemBase ID: 160321
Molecular Formular: C6H8N2
Molecular Mass: 108.14112
Monoisotopic Mass: 108.06874827
SMILES and InChIs

SMILES:
c1cc(ncc1C)N
Canonical SMILES:
Nc1ccc(cn1)C
InChI:
InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
InChIKey:
CMBSSVKZOPZBKW-UHFFFAOYSA-N

Cite this record

CBID:160321 http://www.chembase.cn/molecule-160321.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2H3)methylpyridin-2-amine
IUPAC Traditional name
5-(2H3)methylpyridin-2-amine
Synonyms
5-Methyl-d3-2-pyridinamine
2-Amino-5-(methyl-d3)-pyridine
PubChem SID
162254456
PubChem CID
45785284

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A617497 external link Add to cart
PubChem 45785284 external link
Data Source Data ID Price
TRC
A617497 external link Add to cart Please log in.
Data Source Data ID
PubChem 45785284 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2612816  LogD (pH = 7.4) 0.82512105 
Log P 1.0345263  Molar Refractivity 33.9562 cm3
Polarizability 12.412555 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Light Brown Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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