Cas no 1184985-22-5 (tert-butyl 3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate)

tert-butyl 3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate structure
1184985-22-5 structure
Product Name:tert-butyl 3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate
CAS No:1184985-22-5
MF:C11H21NO3
MW:215.289343595505
MDL:MFCD08461237
CID:3166524
PubChem ID:45073888
Update Time:2024-11-03

tert-butyl 3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
    • trans-tert-butyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
    • 1-PYRROLIDINECARBOXYLIC ACID, 3-(HYDROXYMETHYL)-4-METHYL-, 1,1-DIMETHYLETHYL ESTER
    • AM805878
    • 1-Boc-3-(hydroxymethyl)-4-methylpyrrolidine
    • tert-butyl 3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate
    • tert-butyl (3R,4R)-3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate
    • 1184985-22-5
    • SY344439
    • SB74628
    • BS-30207
    • [(3S,4S)-1-Boc-4-methyl-3-pyrrolidinyl]methanol
    • PB39739
    • SCHEMBL13177350
    • CS-0183624
    • ALBB-026599
    • tert-butyl (3R,4S)-3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate
    • MFCD08461237
    • tert-butyl3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
    • W10515
    • MFCD12407173
    • AKOS017258764
    • (1-Boc-4-methyl-3-pyrrolidinyl)methanol
    • SY343797
    • MDL: MFCD08461237
    • Inchi: 1S/C11H21NO3/c1-8-5-12(6-9(8)7-13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3
    • InChI Key: QNVPXIMDUBAIPY-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CC(C)C(CO)C1)=O

Computed Properties

  • Exact Mass: 215.15214353 g/mol
  • Monoisotopic Mass: 215.15214353 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 235
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 215.29
  • XLogP3: 1.3
  • Topological Polar Surface Area: 49.8

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 298.8±13.0 °C at 760 mmHg
  • Flash Point: 134.5±19.8 °C
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

tert-butyl 3-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate Security Information

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