Cas no 889676-34-0 (1-BOC-6-cyanoindole)

1-BOC-6-cyanoindole structure
1-BOC-6-cyanoindole structure
Product Name:1-BOC-6-cyanoindole
CAS No:889676-34-0
MF:C14H14N2O2
MW:242.273163318634
MDL:MFCD08436020
CID:720209
PubChem ID:25307159
Update Time:2025-04-19

1-BOC-6-cyanoindole Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 6-cyano-1H-indole-1-carboxylate
    • 1-BOC-6-cyanoindole
    • 1H-Indole-1-carboxylicacid, 6-cyano-, 1,1-dimethylethyl ester
    • tert-butyl 6-cyanoindole-1-carboxylate
    • 1-(tert-butoxycarbonyl)-1H-indole-6-carbonitrile
    • 6-Cyano-indole-1-carboxylic acid tert-butyl ester
    • DTXSID50649564
    • AS-43905
    • 6-Cyano-1H-indole, N-BOC protected
    • 6-CYANO-1H-INDOLE,N-BOCPROTECTED98
    • 1H-Indole-1-carboxylicacid,6-cyano-,1,1-dimethylethyl ester
    • C14H14N2O2
    • A843014
    • 889676-34-0
    • FT-0659865
    • MFCD08436020
    • AKOS015837014
    • SCHEMBL3008246
    • 6-CYANO-1H-INDOLE, N-BOC PROTECTED 98
    • DB-078261
    • MDL: MFCD08436020
    • Inchi: 1S/C14H14N2O2/c1-14(2,3)18-13(17)16-7-6-11-5-4-10(9-15)8-12(11)16/h4-8H,1-3H3
    • InChI Key: DCIWEPSVBLICSS-UHFFFAOYSA-N
    • SMILES: O(C(N1C=CC2C=CC(C#N)=CC1=2)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 242.10600
  • Monoisotopic Mass: 242.106
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 377
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 55A^2

Experimental Properties

  • Density: 1.12
  • Melting Point: 124-126
  • Boiling Point: 386.4°C at 760 mmHg
  • Flash Point: 187.5°C
  • Refractive Index: 1.564
  • PSA: 55.02000
  • LogP: 3.29618

1-BOC-6-cyanoindole Security Information

  • Hazard Statement: Irritant/Keep Cold
  • Hazardous Material Identification: Xi
  • Storage Condition:Keep cold

1-BOC-6-cyanoindole 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%

1-BOC-6-cyanoindole Pricemore >>

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1-BOC-6-cyanoindole Production Method

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