Cas no 84454-35-3 (β-CCB)

β-CCB structure
β-CCB structure
Product Name:β-CCB
CAS No:84454-35-3
MF:C16H16N2O2
MW:268.310443878174
MDL:MFCD00078568
CID:724368
PubChem ID:128618
Update Time:2025-04-19

β-CCB Chemical and Physical Properties

Names and Identifiers

    • 9H-Pyrido[3,4-b]indole-3-carboxylicacid, butyl ester
    • BETA-CARBOLINE-3-CARBOXYLIC ACID BUTYL ESTER
    • butyl 9H-pyrido[3,4-b]indole-3-carboxylate
    • β-CCB
    • A-carboline-3-carboxylate
    • A-ccb
    • butyl
    • NBBCC
    • Tocris-0405
    • CHEMBL1394514
    • NCGC00024573-02
    • N-Butyl-beta-carboline-3-carboxylate
    • N-Butyl beta-carboline-3-carboxylate
    • butyl 9H-pyrido[5,4-b]indole-3-carboxylate
    • Butyl beta-carboline-3-carboxylate
    • AKOS024457948
    • FT-0738373
    • Q27087857
    • SCHEMBL2214572
    • 84454-35-3
    • Butyl .beta.-carboline-3-carboxylate
    • BPBio1_001057
    • HMS3675I09
    • 9H-Pyrido(3,4-b)indole-3-carboxylic acid, butyl ester
    • SR-01000597668
    • HMS3266M05
    • NCGC00024573-01
    • NCGC00024573-03
    • CHEMBL148296
    • DTXSID90233426
    • beta-Ccb
    • Butyl 9H-beta-carboline-3-carboxylate #
    • BRD-K87349602-001-01-2
    • SR-01000597668-1
    • 3-hydroxybutanoic acid- 3-hydroxypentanoic acid(1:1)
    • CHEBI:34867
    • Butyl ?-carboline-3-carboxylate
    • ?-CCB
    • BRD-K87349602-001-02-0
    • b-CCB
    • Biomol-NT_000274
    • HMS3411I09
    • GTPL2374
    • BRD-K87349602-001-03-8
    • HY-100924
    • DB-369872
    • CS-0020595
    • MDL: MFCD00078568
    • Inchi: 1S/C16H16N2O2/c1-2-3-8-20-16(19)14-9-12-11-6-4-5-7-13(11)18-15(12)10-17-14/h4-7,9-10,18H,2-3,8H2,1H3
    • InChI Key: WGNGIELOOKACSB-UHFFFAOYSA-N
    • SMILES: O(C(C1=CC2=C(C=N1)NC1C=CC=CC2=1)=O)CCCC

Computed Properties

  • Exact Mass: 268.12100
  • Monoisotopic Mass: 268.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 347
  • 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: 3.8
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.238
  • Melting Point: 210-211?°C
  • Boiling Point: 483.9°C at 760 mmHg
  • Flash Point: 246.5°C
  • Refractive Index: 1.661
  • PSA: 54.98000
  • LogP: 3.67300
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

β-CCB Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

β-CCB Pricemore >>

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