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161091-50-5 molecular structure
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3-N,5,6-trimethylpyridine-2,3-diamine

ChemBase ID: 160046
Molecular Formular: C8H13N3
Molecular Mass: 151.20892
Monoisotopic Mass: 151.11094743
SMILES and InChIs

SMILES:
c1c(c(nc(c1NC)N)C)C
Canonical SMILES:
CNc1cc(C)c(nc1N)C
InChI:
InChI=1S/C8H13N3/c1-5-4-7(10-3)8(9)11-6(5)2/h4,10H,1-3H3,(H2,9,11)
InChIKey:
BAGNHJHCCOWUDL-UHFFFAOYSA-N

Cite this record

CBID:160046 http://www.chembase.cn/molecule-160046.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-N,5,6-trimethylpyridine-2,3-diamine
IUPAC Traditional name
3-N,5,6-trimethylpyridine-2,3-diamine
Synonyms
N3,5,6-Trimethyl-2,3-pyridinediamine
2-Amino-5,6-dimethyl-3-methylaminopyridine
CAS Number
161091-50-5
PubChem SID
162254181
PubChem CID
4302073

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A607045 external link Add to cart
PubChem 4302073 external link
Data Source Data ID Price
TRC
A607045 external link Add to cart Please log in.
Data Source Data ID
PubChem 4302073 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2645983  LogD (pH = 7.4) -0.30631775 
Log P 0.6386747  Molar Refractivity 48.7415 cm3
Polarizability 17.07775 Å3 Polar Surface Area 50.94 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
Dichloromethane expand Show data source
Apperance
Brown Solid expand Show data source
Melting Point
86-89°C 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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