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74844-99-8 molecular structure
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3-methylquinolin-2-amine

ChemBase ID: 816066
Molecular Formular: C10H10N2
Molecular Mass: 158.1998
Monoisotopic Mass: 158.08439833
SMILES and InChIs

SMILES:
c1cc2c(cc1)cc(c(n2)N)C
Canonical SMILES:
Cc1cc2ccccc2nc1N
InChI:
InChI=1S/C10H10N2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3,(H2,11,12)
InChIKey:
NCZOVCDTUUZEEA-UHFFFAOYSA-N

Cite this record

CBID:816066 http://www.chembase.cn/molecule-816066.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylquinolin-2-amine
IUPAC Traditional name
3-methylquinolin-2-amine
Synonyms
2-AMINO-3-METHYLQUINOLINE
CAS Number
74844-99-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39694 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39694 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) 1.3970416  LogD (pH = 7.4) 2.3548746 
Log P 2.4098535  Molar Refractivity 50.0344 cm3
Polarizability 19.923058 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

INTERNET

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