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27063-27-0 molecular structure
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4-methylquinolin-2-amine

ChemBase ID: 812320
Molecular Formular: C10H10N2
Molecular Mass: 158.1998
Monoisotopic Mass: 158.08439833
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(cc(n2)N)C
Canonical SMILES:
Nc1cc(C)c2c(n1)cccc2
InChI:
InChI=1S/C10H10N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,11,12)
InChIKey:
LAKQBTPNPXHTNB-UHFFFAOYSA-N

Cite this record

CBID:812320 http://www.chembase.cn/molecule-812320.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylquinolin-2-amine
IUPAC Traditional name
4-methylquinolin-2-amine
Synonyms
4-METHYL-2-QUINOLINAMINE
CAS Number
27063-27-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32226 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32226 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0641954  LogD (pH = 7.4) 2.2695026 
Log P 2.4098535  Molar Refractivity 50.0344 cm3
Polarizability 19.922098 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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