Cas no 129822-49-7 (tert-Butyl 5-methyl-1H-indole-1-carboxylate)

tert-Butyl 5-methyl-1H-indole-1-carboxylate structure
129822-49-7 structure
Product Name:tert-Butyl 5-methyl-1H-indole-1-carboxylate
CAS No:129822-49-7
MF:C14H17NO2
MW:231.290283918381
MDL:MFCD06008299
CID:1083290
PubChem ID:24882785
Update Time:2025-04-20

tert-Butyl 5-methyl-1H-indole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 5-methyl-1H-indole-1-carboxylate
    • 1-(tert-Butoxycarbonyl)-5-methylindole
    • tert-butyl 5-methylindole-1-carboxylate
    • 1,1-Dimethylethyl 5-methyl-1H-indole-1-carboxylate
    • 1H-Indole-1-carboxylic acid,5-methyl-,1,1-dimethylethyl ester
    • 1-N-(tert-butoxycarbonyl)-5-methylindol
    • 5-methylindole-1-carboxylic acid tert-butyl ester
    • N-boc-5-methylindole
    • tert-butyl 5-methyl-1-indolecarboxylate
    • 1H-Indole-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester
    • AS-71570
    • 1-(TERT-BUTOXYCARBONYL)-5-METHYLINDOLE&
    • D84596
    • AMY10785
    • AKOS022180541
    • 129822-49-7
    • J-005720
    • NSPCCUXHOQOAJQ-UHFFFAOYSA-N
    • CS-0337979
    • SCHEMBL3269495
    • DTXSID60462680
    • 1-(tert-Butoxycarbonyl)-5-methylindole, 97%
    • MFCD06008299
    • MDL： MFCD06008299
    • Inchi： 1S/C14H17NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-9H,1-4H3
    • InChI Key： NSPCCUXHOQOAJQ-UHFFFAOYSA-N
    • SMILES： O(C(N1C=CC2C=C(C)C=CC1=2)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 231.12600
  • Monoisotopic Mass: 231.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 295
  • 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: 3.6
  • Topological Polar Surface Area: 31.2?2

Experimental Properties

  • Density: 1.056?g/mL?at 25?°C(lit.)
  • Boiling Point: 208-209?°C(lit.)
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.5410(lit.)
  • PSA: 31.23000
  • LogP: 3.73290

tert-Butyl 5-methyl-1H-indole-1-carboxylate Security Information

  • Symbol: GHS06
  • Signal Word：Danger
  • Hazard Statement： H301-H317
  • Warning Statement： P280-P301+P310
  • Hazardous Material transportation number：UN 2811 6.1/PG 3
  • WGK Germany：3
  • Hazard Category Code： 22-43
  • Safety Instruction： S36/37
  • Hazardous Material Identification： Xn
  • Safety Term：S36/37
  • Risk Phrases：R22

tert-Butyl 5-methyl-1H-indole-1-carboxylate 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%

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