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60843-63-2 molecular structure
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methyl[(quinolin-8-yl)methyl]amine

ChemBase ID: 57215
Molecular Formular: C11H12N2
Molecular Mass: 172.22638
Monoisotopic Mass: 172.10004839
SMILES and InChIs

SMILES:
c1cc(c2c(c1)cccn2)CNC
Canonical SMILES:
CNCc1cccc2c1nccc2
InChI:
InChI=1S/C11H12N2/c1-12-8-10-5-2-4-9-6-3-7-13-11(9)10/h2-7,12H,8H2,1H3
InChIKey:
OIGGMXDIIFQEML-UHFFFAOYSA-N

Cite this record

CBID:57215 http://www.chembase.cn/molecule-57215.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(quinolin-8-yl)methyl]amine
methyl(quinolin-8-ylmethyl)amine
IUPAC Traditional name
methyl(quinolin-8-ylmethyl)amine
Synonyms
METHYL-QUINOLIN-8-YLMETHYL-AMINE
N-Methyl-1-quinolin-8-ylmethanamine
CAS Number
60843-63-2
MDL Number
MFCD06738895
PubChem SID
162061978
PubChem CID
12293127

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12293127 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5107708  LogD (pH = 7.4) -0.59113526 
Log P 1.6892493  Molar Refractivity 53.2273 cm3
Polarizability 22.272705 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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