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7-Methoxy-6-methylquinoline

HCID 59366165
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
97581-31-2
Standard SMILES
COc1cc2ncccc2cc1C
InChIKey
UBTCQWZHRBDQBV-UHFFFAOYSA-N
Molecular formula
C11H11NO
Average molar mass
173.21 g/mol
Monoisotopic mass
173.08406397

Names & identifiers

Preferred name
7-Methoxy-6-methylquinoline
IUPAC
7-methoxy-6-methylquinoline
English name
7-Methoxy-6-Methylquinoline
Molecular formula
C11H11NO
Molecular weight
173.21

Names & synonyms

7-Methoxy-6-methylquinoline97581-31-2MFCD18452204Quinoline, 7-methoxy-6-methyl-7-methoxy-6-methyl-quinoline6-Methyl-7-methoxy-quinolineSCHEMBL1059698UBTCQWZHRBDQBV-UHFFFAOYSA-NAC2182AKOS027257085SB67839CS-11777
Show more names
6-Methyl-7-methoxyquinoline
DA-35605SY030009F822758

Database identifiers

CAS
97581-31-2
PubChem CID
59366165

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
171

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-37/39
HS Code
2933499090 · 2933499090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2933499090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-37/39
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Related reactions

5 records
New reaction record
HRID 532841 reaction equation
HRID 532841As productuspto-grants-2014_10
HRID 532842 reaction equation
HRID 532842As reactantuspto-grants-2014_10
HRID 1116467 reaction equation
HRID 1116467As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2063567 reaction equation
HRID 2063567As productuspto-grants-2012_10
HRID 2063568 reaction equation
HRID 2063568As reactantuspto-grants-2012_10

Compound notes

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