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916979-09-4 molecular structure
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4-(2H3)methyl(2H3)pyridin-2-amine

ChemBase ID: 160319
Molecular Formular: C6H8N2
Molecular Mass: 108.14112
Monoisotopic Mass: 108.06874827
SMILES and InChIs

SMILES:
c1cnc(cc1C)N
Canonical SMILES:
Cc1ccnc(c1)N
InChI:
InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
InChIKey:
ORLGLBZRQYOWNA-UHFFFAOYSA-N

Cite this record

CBID:160319 http://www.chembase.cn/molecule-160319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2H3)methyl(2H3)pyridin-2-amine
IUPAC Traditional name
4-(2H3)methyl(2H3)pyridin-2-amine
Synonyms
4-Methyl-2-pyridinamine-d6
2-Amino-4-picoline-d6
Aminopicoline-d6
Ascensil-d6
NSC 1490-d6
NSC 176165-d6
NSC 6972-d6
2-Amino-4-methylpyridine-d6
CAS Number
916979-09-4
PubChem SID
162254454
PubChem CID
46783593

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A617472 external link Add to cart
PubChem 46783593 external link
Data Source Data ID Price
TRC
A617472 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783593 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.36774576  LogD (pH = 7.4) 0.63217837 
Log P 1.0345263  Molar Refractivity 33.9562 cm3
Polarizability 12.42993 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
Ethyl Acetate expand Show data source
Methanol, expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
86-87°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Garcin, E., et al.: Nat. Chem. Biol., 4, 700 (2008)
  • • Bodoor, K., et al.: J. Med. Chem., 52, 3753 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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