Cas no 112891-31-3 (1-(p-Tolyl)-1,2,3,4-tetrahydroisoquinoline)

1-(p-Tolyl)-1,2,3,4-tetrahydroisoquinoline structure
112891-31-3 structure
Product Name:1-(p-Tolyl)-1,2,3,4-tetrahydroisoquinoline
CAS No:112891-31-3
MF:C16H17N
MW:223.312884092331
CID:129948
PubChem ID:14548159
Update Time:2025-04-19

1-(p-Tolyl)-1,2,3,4-tetrahydroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 1-(p-Tolyl)-1,2,3,4-tetrahydroisoquinoline
    • 1-(4'-METHYL)-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
    • 1-(4-METHYL)-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
    • Isoquinoline,1,2,3,4-tetrahydro-1-(4-methylphenyl)-
    • 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
    • 1-(4-methylphenyl)tetrahydroisoquinoline
    • 1,2,3,4-tetrahydro-1-(4-tolyl)isoquinoline
    • 1-p-Tolyl-1,2,3,4-tetrahydro-isoquinoline
    • CHEMBL21969
    • BDBM50017037
    • AKOS013353534
    • 1,2,3,4-tetrahydro-1-p-tolylisoquinoline
    • SCHEMBL7214001
    • 112891-31-3
    • Inchi： 1S/C16H17N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9,16-17H,10-11H2,1H3
    • InChI Key： OMRKUZDQUXNJDA-UHFFFAOYSA-N
    • SMILES： N1CCC2C=CC=CC=2C1C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 223.13600
  • Monoisotopic Mass: 223.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03000
  • LogP: 3.55890

1-(p-Tolyl)-1,2,3,4-tetrahydroisoquinoline Customs Data

  • HS CODE：2933499090
  • Customs Data：

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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