Cas no 201039-13-6 (tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate)

tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate structure
201039-13-6 structure
Product Name:tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate
CAS No:201039-13-6
MF:C11H18N2O2
MW:210.272822856903
MDL:MFCD11505915
CID:66600
PubChem ID:10727173
Update Time:2025-04-18

tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (R)-tert-butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate
    • (R)-1-BOC-2-(cyanomethyl)pyrrolidine
    • 1-Pyrrolidinecarboxylic acid, 2-(cyanomethyl)-, 1,1-dimethylethyl ester, (2R)-
    • (R)-2-cyanomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
    • (R)-N-Boc-pyrrolidylacetonitrile
    • tert-butyl (R)-2-cyanomethylpyrrolidine-1-carboxylate
    • tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate
    • 201039-13-6
    • P11135
    • BB 0260874
    • SCHEMBL4058342
    • (R)-t-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate
    • CS-0054664
    • (R)-tert-butyl-2-(cyanomethyl)pyrrolidine-1-carboxylate
    • AS-50799
    • A4392
    • EN300-153803
    • AC-8553
    • AMY36440
    • W-201758
    • (R)-2-Cyanomethyl pyrrolidine-1-carboxylic acid, tert-butyl ester
    • AKOS015836106
    • (R)-tert-butyl2-(cyanomethyl)pyrrolidine-1-carboxylate
    • AKOS015897922
    • GSNDDHMLFYORQI-SECBINFHSA-N
    • MFCD11505915
    • tert-butyl (R)-2-(cyanomethyl)pyrrolidine-1-carboxylate
    • DB-009112
    • MDL： MFCD11505915
    • Inchi： 1S/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3/t9-/m1/s1
    • InChI Key： GSNDDHMLFYORQI-SECBINFHSA-N
    • SMILES： O(C(C)(C)C)C(N1CCC[C@@H]1CC#N)=O

Computed Properties

  • Exact Mass: 210.13700
  • Monoisotopic Mass: 210.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 53.3?2

Experimental Properties

  • PSA: 53.33000
  • LogP: 2.23748

tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate Security Information

  • HazardClass：IRRITANT

tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate 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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