Cas no 168827-86-9 (Carbamic acid, [(2S)-3-hydroxy-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI))

Carbamic acid, [(2S)-3-hydroxy-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI) structure
168827-86-9 structure
Product Name:Carbamic acid, [(2S)-3-hydroxy-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:168827-86-9
MF:C9H19NO3
MW:189.252063035965
CID:905095
PubChem ID:10976271
Update Time:2025-04-19

Carbamic acid, [(2S)-3-hydroxy-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, [(2S)-3-hydroxy-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI)
    • EN300-7139086
    • tert-Butyl (S)-(3-hydroxy-2-methylpropyl)carbamate
    • (S)-tert-Butyl (3-hydroxy-2-methylpropyl)carbamate
    • TERT-BUTYL N-[(2S)-3-HYDROXY-2-METHYLPROPYL]CARBAMATE
    • SCHEMBL4270603
    • CS-0142512
    • 168827-86-9
    • starbld0018422
    • Boc-(S)-3-amino-2-methylpropan-1-ol
    • TERT-BUTYL (2S)-(3-HYDROXY-2-METHYLPROPYL)CARBAMATE
    • AT34756
    • Inchi: 1S/C9H19NO3/c1-7(6-11)5-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
    • InChI Key: BDAXTHWMUZLOHK-ZETCQYMHSA-N
    • SMILES: O(C(NC[C@H](C)CO)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 189.13657
  • Monoisotopic Mass: 189.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 163
  • 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
  • Topological Polar Surface Area: 58.6?2

Experimental Properties

  • PSA: 58.56

Carbamic acid, [(2S)-3-hydroxy-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI) Pricemore >>

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