Cas no 74862-27-4 (1H-Indole-3-carboximidic acid methyl ester)

1H-Indole-3-carboximidic acid methyl ester structure
74862-27-4 structure
Product Name:1H-Indole-3-carboximidic acid methyl ester
CAS No:74862-27-4
MF:C10H10N2O
MW:174.199202060699
CID:2103988
Update Time:2023-11-18

1H-Indole-3-carboximidic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-carboximidic acid methyl ester
    • 1H-Indole-3-carboximidic acid, methyl ester
    • FCH1247874
    • 1H-indole-3-carboximidic acid, methyl ester, hydrochloride
    • CID 135802643
    • Inchi: 1S/C10H10N2O/c1-13-10(11)8-6-12-9-5-3-2-4-7(8)9/h2-6,11-12H,1H3
    • InChI Key: DJYCPSULZRWRJK-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CNC2C=CC=CC=21)=N

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 205
  • XLogP3: 2.7
  • Topological Polar Surface Area: 48.9

Experimental Properties

  • Density: 1.21±0.1 g/cm3(Predicted)
  • Melting Point: 159-195 °C
  • Boiling Point: 312.1±34.0 °C(Predicted)
  • pka: 15.62±0.30(Predicted)
Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.