Cas no 221118-65-6 (Isoquinoline,1-methoxy-5-methyl-)

Isoquinoline,1-methoxy-5-methyl- is a substituted isoquinoline derivative characterized by the presence of methoxy and methyl functional groups at the 1- and 5-positions, respectively. This compound is of interest in synthetic organic chemistry due to its potential as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The methoxy and methyl substituents enhance its reactivity and selectivity in various transformations, such as electrophilic substitutions or metal-catalyzed cross-coupling reactions. Its structural features also make it a candidate for studying structure-activity relationships in bioactive compounds. The product is typically supplied with high purity, ensuring consistent performance in research and industrial applications.
Isoquinoline,1-methoxy-5-methyl- structure
221118-65-6 structure
Product Name:Isoquinoline,1-methoxy-5-methyl-
CAS No:221118-65-6
MF:C11H11NO
MW:173.211142778397
CID:244149
PubChem ID:9815354
Update Time:2025-10-16

Isoquinoline,1-methoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline,1-methoxy-5-methyl-
    • Isoquinoline, 1-methoxy-5-methyl- (9CI)
    • 221118-65-6
    • 1-methoxy-5-methylisoquinoline
    • SCHEMBL7680562
    • Inchi： 1S/C11H11NO/c1-8-4-3-5-10-9(8)6-7-12-11(10)13-2/h3-7H,1-2H3
    • InChI Key： SZSWAEYLSLBDDR-UHFFFAOYSA-N
    • SMILES： O(C)C1C2C=CC=C(C)C=2C=CN=1

Computed Properties

  • Exact Mass: 173.08413
  • Monoisotopic Mass: 173.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 22.1?2

Experimental Properties

  • PSA: 22.12

Isoquinoline,1-methoxy-5-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A189007365-5g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
5g
 $1326.60 2023-09-02
Alichem
A189007365-10g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
10g
 $2170.80 2023-09-02
Alichem
A189007365-25g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
25g
 $3283.00 2023-09-02
Chemenu
CM239163-1g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
1g
 $396 2021-08-04
Chemenu
CM239163-5g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
5g
 $884 2021-08-04
Chemenu
CM239163-10g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
10g
 $1328 2021-08-04
Chemenu
CM239163-25g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
25g
 $2216 2021-08-04
Chemenu
CM239163-1g
1-Methoxy-5-methylisoquinoline
 221118-65-6 97%
1g
 $*** 2023-03-30

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