Cas no 58853-80-8 (Isoquinoline, methyl-)

Isoquinoline, methyl- structure
Isoquinoline, methyl- structure
Product Name:Isoquinoline, methyl-
CAS No:58853-80-8
MF:C10H9N
MW:143.185162305832
CID:340618
PubChem ID:15592
Update Time:2025-04-19

Isoquinoline, methyl- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, methyl-
    • EINECS 217-017-6
    • AKOS015842462
    • 1-Methyl-isoquinoline
    • CHEBI:125469
    • 1-methyl isoquinoline
    • Methylisoquinoline; 97%
    • MFCD00006902
    • BDBM50159268
    • SCHEMBL70488
    • DTXSID20870904
    • BRD-K02603382-001-01-0
    • M0298
    • UNII-Z96HOX9RT9
    • 58853-80-8
    • 1721-93-3
    • FT-0633794
    • 1-Methylisoquinoline, 97%
    • Isoquinoline, methyl-;1-methyl isoquinoline
    • 1-Methylisoquinoline; Isoquinaldine; NSC 101175
    • J-505001
    • Isoquinaldine
    • Y10177
    • NSC-101175
    • NS00048390
    • Q27216088
    • AMY13709
    • A811385
    • NSC 101175
    • NSC101175
    • Z1255415440
    • 1-METHYLISOQUINOLINE
    • Isoquinoline, 1-methyl-
    • InChI=1/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H
    • CHEMBL364698
    • Z96HOX9RT9
    • BCP30416
    • EN300-120889
    • BP-12703
    • TS-01867
    • Inchi: 1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3
    • InChI Key: PBYMYAJONQZORL-UHFFFAOYSA-N
    • SMILES: N1C=CC2C=CC=CC=2C=1C

Computed Properties

  • Exact Mass: 143.07357
  • Monoisotopic Mass: 143.073499291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 133
  • 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: 2.5
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89
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