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92116-67-1 molecular structure
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3-N,6-dimethylquinoxaline-5,6-diamine

ChemBase ID: 173986
Molecular Formular: C10H12N4
Molecular Mass: 188.22908
Monoisotopic Mass: 188.1061964
SMILES and InChIs

SMILES:
n1c(cnc2c1c(c(cc2)NC)N)C
Canonical SMILES:
CNc1ccc2c(c1N)nc(cn2)C
InChI:
InChI=1S/C10H12N4/c1-6-5-13-8-4-3-7(12-2)9(11)10(8)14-6/h3-5,12H,11H2,1-2H3
InChIKey:
HMNOVNDXASSVGB-UHFFFAOYSA-N

Cite this record

CBID:173986 http://www.chembase.cn/molecule-173986.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-N,6-dimethylquinoxaline-5,6-diamine
IUPAC Traditional name
3-N,6-dimethylquinoxaline-5,6-diamine
Synonyms
N6,3-Dimethyl-5,6-quinoxalinediamine
2-Methyl-7-methylamino-8-amino-quinoxaline
CAS Number
92116-67-1
PubChem SID
164229896
PubChem CID
151878

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M322375 external link Add to cart
PubChem 151878 external link
Data Source Data ID Price
TRC
M322375 external link Add to cart Please log in.
Data Source Data ID
PubChem 151878 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.389778  H Acceptors
H Donor LogD (pH = 5.5) 0.06604334 
LogD (pH = 7.4) 0.07419576  Log P 0.074300714 
Molar Refractivity 56.9361 cm3 Polarizability 21.946516 Å3
Polar Surface Area 63.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMF expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Black Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M322375 external link
A proposed non-mutagenic quinoline compound

REFERENCES

REFERENCES

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  • • Grivas, S., et al.: Mut. Res., Gen. Toxicol. Test., 137, 29 (1984)
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PATENTS

PATENTS

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INTERNET

INTERNET

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