Cas no 13130-81-9 (4-Benzyl-1-bromoisoquinolin-3-amine)

4-Benzyl-1-bromoisoquinolin-3-amine structure
13130-81-9 structure
Product Name:4-Benzyl-1-bromoisoquinolin-3-amine
CAS No:13130-81-9
MF:C16H13BrN2
MW:313.191822767258
CID:134341
PubChem ID:682544
Update Time:2025-04-19

4-Benzyl-1-bromoisoquinolin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-Benzyl-1-bromoisoquinolin-3-amine
    • 1-bromo-4-benzyl-3-isoquinolylamine
    • 3-Amino-4-benzyl-1-brom-isochinolin
    • 4-benzyl-1-bromo-isoquinolin-3-amine
    • 4-benzyl-1-bromo-isoquinolin-3-ylamine
    • 3-AMINO-4-BENZYL-1-BROMOISOQUINOLINE
    • 4-benzyl-1-BroMo-iso-3-aMino-quinoline
    • FT-0617641
    • W-205339
    • DTXSID60350558
    • 3-Isoquinolinamine, 1-bromo-4-(phenylmethyl)-
    • MFCD00102151
    • Oprea1_531064
    • AKOS015912186
    • 13130-81-9
    • Inchi: 1S/C16H13BrN2/c17-15-13-9-5-4-8-12(13)14(16(18)19-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,19)
    • InChI Key: LWMHXKNKIWSCRZ-UHFFFAOYSA-N
    • SMILES: BrC1=C2C=CC=CC2=C(C(N)=N1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 312.02600
  • Monoisotopic Mass: 312.02621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 291
  • 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: 4.7
  • Topological Polar Surface Area: 38.9?2

Experimental Properties

  • Density: 1.459
  • Melting Point: 155 °C
  • Boiling Point: 491.7°Cat760mmHg
  • Flash Point: 251.2°C
  • Refractive Index: 1.705
  • PSA: 38.91000
  • LogP: 4.75150

4-Benzyl-1-bromoisoquinolin-3-amine 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%

4-Benzyl-1-bromoisoquinolin-3-amine Pricemore >>

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