Cas no 285-59-6 (3-azabicyclo[3.1.0]hexane)

3-Azabicyclo[3.1.0]hexane is a strained bicyclic amine with a unique three-dimensional structure, making it a valuable scaffold in medicinal chemistry and drug discovery. Its rigid framework enhances binding affinity and selectivity in bioactive molecules. The compound is particularly useful for developing CNS-targeting pharmaceuticals due to its ability to improve pharmacokinetic properties.
3-azabicyclo[3.1.0]hexane structure
3-azabicyclo[3.1.0]hexane structure
Product Name:3-azabicyclo[3.1.0]hexane
CAS No:285-59-6
MF:C5H9N
MW:83.1316611766815
MDL:MFCD12197361
CID:890801
PubChem ID:13150523
Update Time:2025-06-19

3-azabicyclo[3.1.0]hexane Chemical and Physical Properties

Names and Identifiers

    • 3-Aza-bicyclo[3.1.0]hexane
    • 3-Azabicyclo[3.1.0]hexane
    • 3,4-methanopyrrolidine
    • 3-Azo-bicyclo<3.1.0>hexan
    • EN300-49605
    • 285-59-6
    • AKOS005217133
    • SY026356
    • DB-023400
    • DTXSID80522351
    • DTXCID80473157
    • HGWUUOXXAIISDB-UHFFFAOYSA-N
    • MFCD10696889
    • CS-0029659
    • AB58452
    • 3-azabicyclo-[3.1.0]hexane
    • 3-Azabicyclo(3.1.0)hexane
    • BCP27928
    • 3-azabicyclo[3.1.0]hexane
    • MDL: MFCD12197361
    • Inchi: 1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2
    • InChI Key: HGWUUOXXAIISDB-UHFFFAOYSA-N
    • SMILES: N1CC2CC2C1

Computed Properties

  • Exact Mass: 83.07350
  • Monoisotopic Mass: 83.073499291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 62.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03000
  • LogP: 0.55450

3-azabicyclo[3.1.0]hexane 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%

3-azabicyclo[3.1.0]hexane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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