Cas no 172695-22-6 ((S)-tert-Butyl (1-cyanopropan-2-yl)carbamate)

(S)-tert-Butyl (1-cyanopropan-2-yl)carbamate structure
172695-22-6 structure
Product Name:(S)-tert-Butyl (1-cyanopropan-2-yl)carbamate
CAS No:172695-22-6
MF:C9H16N2O2
MW:184.235542297363
MDL:MFCD07779197
CID:905691
PubChem ID:16069450
Update Time:2025-04-19

(S)-tert-Butyl (1-cyanopropan-2-yl)carbamate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-Butyl (1-cyanopropan-2-yl)carbamate
    • (3S)-N-benzyloxycarbonyl-3-aminobutanoic acid
    • (S)-(2-cyano-1-methyl-ethyl)-carbamic acid tert-butyl ester
    • (S)-2-(N-t-butoxycarbonylamino)-propyl cyanide
    • (S)-3-&
    • (S)-3-(benzyloxycarbonylamino)butanoic acid
    • (S)-3-{[(benzyloxy)carbonyl]amino}butanoic acid
    • (S)-3-< (tert-butoxycarbonyl)amino> butanenitrile
    • (S)-3-benzyloxycarbonylaminobutyric acid
    • 1,1-dimethylethyl [(1S)-2-cyano-1-methylethyl]carbamate
    • Cbz-L-3-Aminobutyric acid
    • 3-N-BOC-(S)-AMINO BUTYRONITRILE
    • (S)-tert-butyl 1-cyanopropan-2-ylcarbaMate
    • tert-butyl (S)-(1-cyanopropan-2-yl) carbamate
    • tert-butyl [(1S)-2-cyano-1-Methylethyl]carbaMate
    • Carbamic acid, [(1S)-2-cyano-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)
    • EN300-306361
    • CS-0448562
    • 172695-22-6
    • (S)-t-Butyl (1-cyanopropan-2-yl)carbamate
    • AKOS006284658
    • MFCD07779197
    • SCHEMBL86153
    • tert-butyl (S)-(1-cyanopropan-2-yl)carbamate
    • DB-389071
    • Tert-butyl(S)-(1-cyanopropan-2-yl)carbamate
    • (S)-3-(Boc-amino)-butyronitrile
    • DIUMTAGYVCAZRM-ZETCQYMHSA-N
    • TERT-BUTYL N-[(2S)-1-CYANOPROPAN-2-YL]CARBAMATE
    • tert-Butyl [(2S)-1-cyanopropan-2-yl]carbamate
    • (S)-tert-Butyl(1-cyanopropan-2-yl)carbamate
    • MDL： MFCD07779197
    • Inchi： 1S/C9H16N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5H2,1-4H3,(H,11,12)/t7-/m0/s1
    • InChI Key： DIUMTAGYVCAZRM-ZETCQYMHSA-N
    • SMILES： O(C(N[C@@H](C)CC#N)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 184.121177757g/mol
  • Monoisotopic Mass: 184.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 222
  • 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: 1.1
  • Topological Polar Surface Area: 62.1?2

Experimental Properties

  • Density: 1.005
  • Boiling Point: 309.5°C at 760 mmHg
  • Flash Point: 141°C
  • Refractive Index: 1.447
  • PSA: 62.12000
  • LogP: 2.20418

(S)-tert-Butyl (1-cyanopropan-2-yl)carbamate Pricemore >>

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