Cas no 858515-65-8 (4-Methyl-1H-indole-3-carboxylic acid)

4-Methyl-1H-indole-3-carboxylic acid structure
858515-65-8 structure
Product Name:4-Methyl-1H-indole-3-carboxylic acid
CAS No:858515-65-8
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD07776742
CID:717951
PubChem ID:28806310
Update Time:2024-10-26

4-Methyl-1H-indole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-1H-indole-3-carboxylic acid
    • 1H-Indole-3-carboxylicacid, 4-methyl-
    • 4-METHYLINDOLE-3-CARBOXYLIC ACID
    • 4-METHYLINDOLE-3-CARBOXYLICACID
    • 4-Methyl-indole-3-carboxylic acid
    • TRA0024839
    • SY024473
    • AK112026
    • ST2411523
    • AB0065196
    • Z5202
    • 4-Methyl-1H-indole-3-carboxylic acid (ACI)
    • DS-0963
    • SCHEMBL3995494
    • 858515-65-8
    • 4-methyl-1H-indole-3-carboxylicacid
    • AKOS005362549
    • FS-3569
    • AC-29409
    • DTXSID80651655
    • EN300-52731
    • Z385446072
    • MFCD07776742
    • DB-076461
    • CS-W003420
    • MDL： MFCD07776742
    • Inchi： 1S/C10H9NO2/c1-6-3-2-4-8-9(6)7(5-11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
    • InChI Key： ADKWDRQMDHFTJP-UHFFFAOYSA-N
    • SMILES： O=C(C1C2C(=CC=CC=2C)NC=1)O

Computed Properties

  • Exact Mass: 175.06300
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 217
  • 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: 53.1
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: No data available
  • Density: 1.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 419.9±25.0 °C at 760 mmHg
  • Flash Point: 207.8±23.2 °C
  • Refractive Index: 1.696
  • PSA: 53.09000
  • LogP: 2.17450

4-Methyl-1H-indole-3-carboxylic acid Security Information

4-Methyl-1H-indole-3-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%

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4-Methyl-1H-indole-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water
Reference
Design and synthesis of indoleamine 2,3- Dioxygenase 1 inhibitors and evaluation of their use as anti-tumor agents
Wen, Hui ; et al, Molecules, 2019, 24(11),

Production Method 2

Reaction Conditions
1.1 Solvents: Dimethylformamide
2.1 Reagents: Sodium hydroxide Solvents: Water
Reference
Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase
Hopkins, Corey R.; et al, Bioorganic & Medicinal Chemistry Letters, 2005, 15(11), 2734-2737

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water
Reference
Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase
Hopkins, Corey R.; et al, Bioorganic & Medicinal Chemistry Letters, 2005, 15(11), 2734-2737

4-Methyl-1H-indole-3-carboxylic acid Raw materials

4-Methyl-1H-indole-3-carboxylic acid Preparation Products

4-Methyl-1H-indole-3-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:858515-65-8)4-Methyl-1H-indole-3-carboxylic acid
Order Number:A854069
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:48
Price ($):153.0

4-Methyl-1H-indole-3-carboxylic acid Related Literature

858515-65-8 (4-Methyl-1H-indole-3-carboxylic acid) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:858515-65-8)4-Methyl-1H-indole-3-carboxylic acid
A854069
Purity:99%
Quantity:1g
Price ($):153.0
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