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14204-98-9 molecular structure
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6-N-methylquinoline-5,6-diamine

ChemBase ID: 160241
Molecular Formular: C10H11N3
Molecular Mass: 173.21444
Monoisotopic Mass: 173.09529737
SMILES and InChIs

SMILES:
c1cnc2c(c1)c(c(cc2)NC)N
Canonical SMILES:
CNc1ccc2c(c1N)cccn2
InChI:
InChI=1S/C10H11N3/c1-12-9-5-4-8-7(10(9)11)3-2-6-13-8/h2-6,12H,11H2,1H3
InChIKey:
VKTBLHRTAVWXIJ-UHFFFAOYSA-N

Cite this record

CBID:160241 http://www.chembase.cn/molecule-160241.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-N-methylquinoline-5,6-diamine
IUPAC Traditional name
6-N-methylquinoline-5,6-diamine
Synonyms
N6-Methyl-5,6-quinolinediamine
5-Amino-6-(methylamino)quinoline
CAS Number
14204-98-9
PubChem SID
162254376
PubChem CID
155419

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A613085 external link Add to cart
PubChem 155419 external link
Data Source Data ID Price
TRC
A613085 external link Add to cart Please log in.
Data Source Data ID
PubChem 155419 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.31063616  LogD (pH = 7.4) 0.76345295 
Log P 0.7747526  Molar Refractivity 54.8735 cm3
Polarizability 21.10684 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
Methanol expand Show data source
Apperance
Brown Solid expand Show data source
Melting Point
162-172°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

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PATENTS

PATENTS

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INTERNET

INTERNET

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