Cas no 118173-26-5 (Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (S)-)

Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (S)- structure
118173-26-5 structure
Product Name:Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (S)-
CAS No:118173-26-5
MF:C9H17NO3
MW:187.236182928085
MDL:MFCD30162643
CID:1207405
PubChem ID:57976594
Update Time:2025-04-20

Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (S)- Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (S)-
    • (S)-3-tert-butoxycarbonylamino-butanal
    • .(S)-tert-butyl 4-oxobutan-2-ylcarbamate
    • .tert-butyl (S)-4-oxobutan-2-ylcarbamate
    • 1,1-dimethylethyl [(1S)-1-methyl-3-oxopropyl]carbamate
    • AKOS027470088
    • tert-Butyl (S)-(4-oxobutan-2-yl)carbamate
    • EN300-6289910
    • SCHEMBL75827
    • (S)-tert-butyl 4-oxobutan-2-ylcarbamate
    • tert-butyl N-[(2S)-4-oxobutan-2-yl]carbamate
    • (S)-tert-Butyl (4-oxobutan-2-yl)carbamate
    • CS-0376381
    • starbld0000068
    • H11210
    • GIQHYOAEOMSKKV-ZETCQYMHSA-N
    • MFCD30162643
    • 118173-26-5
    • MDL： MFCD30162643
    • Inchi： 1S/C9H17NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m0/s1
    • InChI Key： GIQHYOAEOMSKKV-ZETCQYMHSA-N
    • SMILES： O(C(N[C@@H](C)CC=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 187.12100
  • Monoisotopic Mass: 187.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 184
  • 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: 0.8
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • PSA: 55.40000
  • LogP: 1.87950

Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (S)- Pricemore >>

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