Cas no 94985-26-9 (N-Benzyl-3-cyanoazetidine)

N-Benzyl-3-cyanoazetidine structure
N-Benzyl-3-cyanoazetidine structure
Product Name:N-Benzyl-3-cyanoazetidine
CAS No:94985-26-9
MF:C11H12N2
MW:172.226382255554
CID:1001379
PubChem ID:19814762
Update Time:2025-11-07

N-Benzyl-3-cyanoazetidine Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyl-3-cyanoazetidine
    • 1-benzylazetidine-3-carbonitrile
    • N-Benzyl-3-cyanoazetidine
    • 1-BENZYL-3-CYANOAZETIDINE,N-BENZYL-3-CYANOAZETIDINE
    • 1-(Phenylmethyl)-3-azetidinecarbonitrile
    • AMY15743
    • 1-Benzyl-azetidine-3-carbonitrile
    • JWARBUNVUNGRQE-UHFFFAOYSA-N
    • BS-24857
    • N-benzylazetidine-3-carbonitrilium
    • CS-0210832
    • AKOS006307336
    • FT-0704941
    • 94985-26-9
    • SB50736
    • SCHEMBL8790984
    • DTXSID60600247
    • DB-003176
    • F11093
    • MDL: MFCD11044611
    • Inchi: 1S/C11H12N2/c12-6-11-8-13(9-11)7-10-4-2-1-3-5-10/h1-5,11H,7-9H2
    • InChI Key: JWARBUNVUNGRQE-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CC(C#N)C1

Computed Properties

  • Exact Mass: 172.10000
  • Monoisotopic Mass: 172.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 1.3
  • Topological Polar Surface Area: 27?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.11
  • Boiling Point: 296 oC
  • Flash Point: 126 oC
  • PSA: 27.03000
  • LogP: 1.57988

N-Benzyl-3-cyanoazetidine Security Information

N-Benzyl-3-cyanoazetidine 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%

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