Cas no 797812-91-0 (2-(2-isopropylbenzimidazol-1-yl)acetic acid)

2-(2-isopropylbenzimidazol-1-yl)acetic acid structure
797812-91-0 structure
Product Name:2-(2-isopropylbenzimidazol-1-yl)acetic acid
CAS No:797812-91-0
MF:C12H14N2O2
MW:218.251762866974
MDL:MFCD05239272
CID:1077490
PubChem ID:1073270
Update Time:2025-04-20

2-(2-isopropylbenzimidazol-1-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Isopropyl-1H-benzo[d]imidazol-1-yl)acetic acid
    • (2-Isopropyl-1H-benzimidazol-1-yl)acetic acid
    • (2-ISOPROPYL-BENZOIMIDAZOL-1-YL)-ACETIC ACID
    • 2-(2-propan-2-ylbenzimidazol-1-yl)acetic acid
    • 2-[2-(methylethyl)benzimidazolyl]acetic acid
    • AC1LLTYV
    • CTK5E7112
    • MolPort-000-163-105
    • SBB011379
    • 2-(2-isopropylbenzimidazol-1-yl)acetic acid
    • [2-(propan-2-yl)-1H-benzimidazol-1-yl]acetic acid
    • NSC-803168
    • CS-0314540
    • SCHEMBL13844054
    • VROCWDFNBDMZGW-UHFFFAOYSA-N
    • EN300-7367140
    • AKOS000300678
    • MFCD05239272
    • BB 0257068
    • BAS 04376962
    • FT-0678459
    • Z327567934
    • LS-04774
    • DTXSID80360073
    • 2-[2-(propan-2-yl)-1h-1,3-benzodiazol-1-yl]acetic acid
    • NSC803168
    • 797812-91-0
    • ALBB-015038
    • STL225176
    • 1H-benzimidazole-1-acetic acid, 2-(1-methylethyl)-
    • (2-isopropyl-1,3-benzodiazol-1-yl)acetic acid
    • MDL: MFCD05239272
    • Inchi: 1S/C12H14N2O2/c1-8(2)12-13-9-5-3-4-6-10(9)14(12)7-11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)
    • InChI Key: VROCWDFNBDMZGW-UHFFFAOYSA-N
    • SMILES: OC(CN1C2C=CC=CC=2N=C1C(C)C)=O

Computed Properties

  • Exact Mass: 218.10600
  • Monoisotopic Mass: 218.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 268
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 423.2±28.0 °C at 760 mmHg
  • Flash Point: 209.7±24.0 °C
  • Refractive Index: 1.606
  • PSA: 55.12000
  • LogP: 2.24430
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-(2-isopropylbenzimidazol-1-yl)acetic 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%

2-(2-isopropylbenzimidazol-1-yl)acetic acid Pricemore >>

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