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83407-42-5 molecular structure
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6-N,7-dimethylquinoline-5,6-diamine

ChemBase ID: 160102
Molecular Formular: C11H13N3
Molecular Mass: 187.24102
Monoisotopic Mass: 187.11094743
SMILES and InChIs

SMILES:
c1nc2c(cc1)c(c(c(c2)C)NC)N
Canonical SMILES:
CNc1c(C)cc2c(c1N)cccn2
InChI:
InChI=1S/C11H13N3/c1-7-6-9-8(4-3-5-14-9)10(12)11(7)13-2/h3-6,13H,12H2,1-2H3
InChIKey:
FAOPMOSOIJRQBP-UHFFFAOYSA-N

Cite this record

CBID:160102 http://www.chembase.cn/molecule-160102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-N,7-dimethylquinoline-5,6-diamine
IUPAC Traditional name
6-N,7-dimethylquinoline-5,6-diamine
Synonyms
N6,7-Dimethyl-5,6-quinolinediamine
5-Amino-6-methylamino-7-methylquinoline
CAS Number
83407-42-5
PubChem SID
162254237
PubChem CID
150724

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611960 external link Add to cart
PubChem 150724 external link
Data Source Data ID Price
TRC
A611960 external link Add to cart Please log in.
Data Source Data ID
PubChem 150724 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.55957216  LogD (pH = 7.4) 1.2593129 
Log P 1.288174  Molar Refractivity 59.9147 cm3
Polarizability 22.871208 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
Methanol expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
131-132.5°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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  • • Lee, C., et al.: Chem. Pharm. Bull., 30, 1857 (1982)
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PATENTS

PATENTS

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INTERNET

INTERNET

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