Cas no 29518-68-1 (2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine)

2-(1H-1,3-Benzodiazol-2-yl)ethan-1-amine is a heterocyclic organic compound featuring a benzimidazole core linked to an ethylamine side chain. This structure imparts versatile reactivity, making it valuable in pharmaceutical and chemical synthesis applications. Its benzimidazole moiety contributes to strong binding affinity with biological targets, while the primary amine group enhances solubility and facilitates further derivatization. The compound is particularly useful in the development of bioactive molecules, including enzyme inhibitors and receptor modulators. Its stability under a range of conditions and compatibility with common coupling reagents further underscore its utility in medicinal chemistry and material science research. High purity grades ensure reproducibility in synthetic workflows.
2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine structure
29518-68-1 structure
Product Name:2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine
CAS No:29518-68-1
MF:C9H11N3
MW:161.203741312027
MDL:MFCD00462745
CID:240442
PubChem ID:415158
Update Time:2025-05-19

2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(1H-Benzoimidazol-2-yl)ethylamine
    • 1H-Benzimidazole-2-ethanamine
    • 1H-BENZIMIDAZOLE-ETHANAMINE . 2HCL
    • 2-(1H-Benzo[d]imidazol-2-yl)ethanamine
    • 2-(1H-2-Benzoimidazolyl)-ethylamine
    • BenzyltriphenylphosphoniuM broMide, polyMer-bound
    • 2-(2-Aminoethyl)benzimidazole
    • 2-(Aminoethyl)-1H-benzimidazole
    • 2-(1H-Benzoimidazol-2-yl)-ethylamine
    • 2-(1H-Benzimidazol-2-yl)ethanamine
    • 2-(1H-1,3-BENZODIAZOL-2-YL)ETHAN-1-AMINE
    • 2-(1H-Benzimidazol-2-yl)ethylamine
    • 2-benzimidazol-2-ylethylamine
    • NSC67437
    • 1h-benzimidazole-ethanamine dihydrochloride
    • Cambridge id 5163526
    • TimTec1_003054
    • NCIOpen2_003409
    • Oprea1_323975
    • Oprea1_804344
    • CBDivE_003076
    • SCHEMBL524002
    • FT-0742724
    • CHEMBL4580273
    • AMY13952
    • EN300-35531
    • NSC 67437
    • DS-1360
    • FS-2423
    • SDCCGMLS-0064530.P001
    • J-800101
    • BENZYLTRIPHENYLPHOSPHONIUMBROMIDEPOL&
    • DTXSID20952017
    • 2-(1-H-BENZIMIDAZOL-2-YL)-ETHYLAMINE
    • J-640437
    • SY042498
    • AKOS000200465
    • 2-(1H-benzoimidazol-2-yl)-ethyl-amine
    • AB06128
    • MFCD00462745
    • CS-W019033
    • 2-(2-Amino-athyl)-benzimidazol
    • F2101-0033
    • GJEPMYMUORZPMP-UHFFFAOYSA-N
    • Benzyltriphenylphosphonium bromide,pol
    • 2-(1H-Benzimidazol-2-yl)ethan-1-amine
    • SB36430
    • BB 0219585
    • BENZYLTRIPHENYLPHOSPHONIUM BROMIDE POL&
    • EU-0011815
    • 2-(1H-Benzoimidazol-2-yl)-ethylamine, AldrichCPR
    • 29518-68-1
    • ALBB-000023
    • DB-068129
    • BBL011955
    • STK389068
    • 2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine
    • MDL: MFCD00462745
    • Inchi: 1S/C9H11N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12)
    • InChI Key: GJEPMYMUORZPMP-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2N=C1CCN

Computed Properties

  • Exact Mass: 161.095
  • Monoisotopic Mass: 161.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 0.6
  • Topological Polar Surface Area: 54.7

Experimental Properties

  • Color/Form: Not available
  • Density: 1.225
  • Melting Point: 160 oC
  • Boiling Point: 400℃ at 760 mmHg
  • Flash Point: 224.5±10.4 °C
  • Solubility: Not available
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36/37/39
  • Hazardous Material Identification: Xi
  • Storage Condition:Keep in dark place,Inert atmosphere,2-8°C(BD28846)

2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine Pricemore >>

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