Cas no 176894-58-9 (benzyl N-(1R)-1-cyanoethylcarbamate)

benzyl N-(1R)-1-cyanoethylcarbamate structure
176894-58-9 structure
Product Name:benzyl N-(1R)-1-cyanoethylcarbamate
CAS No:176894-58-9
MF:C11H12N2O2
MW:204.225182533264
MDL:MFCD18633364
CID:2132128
PubChem ID:10703364
Update Time:2025-09-24

benzyl N-(1R)-1-cyanoethylcarbamate Chemical and Physical Properties

Names and Identifiers

    • (R)-benzyl 1-cyanoethylcarbamate
    • benzyl N-[(1R)-1-cyanoethyl]carbamate
    • N-[(1R)-1-Cyanoethyl]carbamic acid phenylmethyl ester
    • benzyl N-(1R)-1-cyanoethylcarbamate
    • benzyl[(1r)-1-cyanoethyl]carbamate
    • I11774
    • (R)-Benzyl (1-cyanoethyl)carbamate
    • MFCD18633364
    • RKPTZVZVBGXQSI-SECBINFHSA-N
    • 176894-58-9
    • DTXSID10443722
    • benzyl (R)-(1-cyanoethyl)carbamate
    • benzyl [(1R)-1-cyanoethyl]carbamate
    • EN300-9437300
    • Carbamic acid, N-[(1R)-1-cyanoethyl]-, phenylmethyl ester
    • SCHEMBL6312473
    • (R)-Benzyl(1-cyanoethyl)carbamate
    • MDL： MFCD18633364
    • Inchi： 1S/C11H12N2O2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m1/s1
    • InChI Key： RKPTZVZVBGXQSI-SECBINFHSA-N
    • SMILES： O(C(N[C@@H](C#N)C)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 204.089877630Da
  • Monoisotopic Mass: 204.089877630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 251
  • 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: 1.6
  • Topological Polar Surface Area: 62.1?2

Experimental Properties

  • Density: 1.148
  • Melting Point: 82-83 oC

benzyl N-(1R)-1-cyanoethylcarbamate Pricemore >>

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