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141848-60-4 molecular structure
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6-(bromomethyl)-2-methylquinoline

ChemBase ID: 74064
Molecular Formular: C11H10BrN
Molecular Mass: 236.1078
Monoisotopic Mass: 234.99966133
SMILES and InChIs

SMILES:
n1c2ccc(cc2ccc1C)CBr
Canonical SMILES:
BrCc1ccc2c(c1)ccc(n2)C
InChI:
InChI=1S/C11H10BrN/c1-8-2-4-10-6-9(7-12)3-5-11(10)13-8/h2-6H,7H2,1H3
InChIKey:
OTZHQYZZYJSBOK-UHFFFAOYSA-N

Cite this record

CBID:74064 http://www.chembase.cn/molecule-74064.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(bromomethyl)-2-methylquinoline
IUPAC Traditional name
6-(bromomethyl)-2-methylquinoline
Synonyms
6-(Bromomethyl)-2-methyl-1-azanaphthalene
6-(Bromomethyl)-2-methylquinoline
CAS Number
141848-60-4
MDL Number
MFCD06658974
PubChem SID
162038983
PubChem CID
2795480

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2795480 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8879611  LogD (pH = 7.4) 3.0327964 
Log P 3.035008  Molar Refractivity 57.4212 cm3
Polarizability 23.103205 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
92.5-94°C expand Show data source
Storage Warning
Corrosive/Toxic/Harmful/Air Sensitive/Store under Argon expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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