Cas no 16381-45-6 (3,5-Dimethyl-1H-indole-2-carboxylic acid)

3,5-Dimethyl-1H-indole-2-carboxylic acid structure
16381-45-6 structure
Product Name:3,5-Dimethyl-1H-indole-2-carboxylic acid
CAS No:16381-45-6
MF:C11H11NO2
MW:189.210542917252
MDL:MFCD05864521
CID:98600
PubChem ID:3157472
Update Time:2025-04-18

3,5-Dimethyl-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethyl-1H-indole-2-carboxylic acid
    • 1H-Indole-2-carboxylicacid, 3,5-dimethyl-
    • 3,5-dimethyl-1H-indole-2-carboxylic acid(SALTDATA: FREE)
    • 3,5-dimethylindole-2-carboxylic acid
    • CHEMBRDG-BB 4004390
    • TIMTEC-BB SBB010795
    • DTXSID90390129
    • AKOS000266240
    • GBZZEXCOEXFISD-UHFFFAOYSA-N
    • LS-02879
    • CS-0105027
    • FT-0718504
    • MFCD05864521
    • EN300-103388
    • 16381-45-6
    • 1-Boc-3-amniopiperidine
    • Z1198166199
    • SB15194
    • SCHEMBL2816058
    • 1H-Indole-2-carboxylic acid, 3,5-dimethyl-
    • G82026
    • ALBB-007749
    • DB-028607
    • STK504761
    • MDL: MFCD05864521
    • Inchi: 1S/C11H11NO2/c1-6-3-4-9-8(5-6)7(2)10(12-9)11(13)14/h3-5,12H,1-2H3,(H,13,14)
    • InChI Key: GBZZEXCOEXFISD-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C)C2C=C(C)C=CC=2N1)=O

Computed Properties

  • Exact Mass: 189.07900
  • Monoisotopic Mass: 189.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 241
  • 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
  • Topological Polar Surface Area: 53.1A^2
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 413.2±40.0 °C at 760 mmHg
  • Flash Point: 203.7±27.3 °C
  • Refractive Index: 1.673
  • PSA: 53.09000
  • LogP: 2.48290
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3,5-Dimethyl-1H-indole-2-carboxylic acid Security Information

3,5-Dimethyl-1H-indole-2-carboxylic acid 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%

3,5-Dimethyl-1H-indole-2-carboxylic acid Pricemore >>

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