Cas no 917364-12-6 (1-(propan-2-yl)-1H-imidazole-4-carboxylic acid)

1-(propan-2-yl)-1H-imidazole-4-carboxylic acid structure
917364-12-6 structure
Product Name:1-(propan-2-yl)-1H-imidazole-4-carboxylic acid
CAS No:917364-12-6
MF:C7H10N2O2
MW:154.166501522064
MDL:MFCD07376009
CID:69505
PubChem ID:40152224
Update Time:2024-10-26

1-(propan-2-yl)-1H-imidazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Isopropyl-1H-imidazole-4-carboxylic acid
    • 1-propan-2-ylimidazole-4-carboxylic acid
    • 1-(1-Methylethyl)-1H-imidazole-4-carboxylic acid (ACI)
    • 1-(propan-2-yl)-1H-imidazole-4-carboxylic acid
    • XFCGFENUIALWFJ-UHFFFAOYSA-N
    • 1-isopropyl-1H-imidazole-4-carboxylicacid
    • AKOS015918585
    • MFCD07376009
    • 917364-12-6
    • DTXSID00654002
    • J-504816
    • SCHEMBL710186
    • DB-009150
    • EN300-178077
    • SY128876
    • 1H-Imidazole-4-carboxylic acid, 1-(1-methylethyl)-
    • AC8859
    • CS-0101509
    • 1-isopropylimidazole-4-carboxylic acid
    • MDL: MFCD07376009
    • Inchi: 1S/C7H10N2O2/c1-5(2)9-3-6(7(10)11)8-4-9/h3-5H,1-2H3,(H,10,11)
    • InChI Key: XFCGFENUIALWFJ-UHFFFAOYSA-N
    • SMILES: O=C(C1=CN(C(C)C)C=N1)O

Computed Properties

  • Exact Mass: 154.07400
  • Monoisotopic Mass: 154.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 159
  • 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: 55.1A^2
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.23
  • Boiling Point: 361.9 ℃ at 760 mmHg
  • Flash Point: 361.9 °C at 760 mmHg
  • Refractive Index: 1.563
  • PSA: 55.12000
  • LogP: 1.16220
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-(propan-2-yl)-1H-imidazole-4-carboxylic acid Security Information

1-(propan-2-yl)-1H-imidazole-4-carboxylic acid Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. 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:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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