Cas no 1627595-60-1 (Tert-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate)

Tert-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate structure
1627595-60-1 structure
Product Name:Tert-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate
CAS No:1627595-60-1
MF:C10H18F2N2O2
MW:236.258929729462
MDL:MFCD27987655
CID:4609708
PubChem ID:84727270
Update Time:2024-11-05

Tert-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate
    • 1-Pyrrolidinecarboxylic acid, 4-(aminomethyl)-3,3-difluoro-, 1,1-dimethylethyl ester
    • SB14756
    • 1-Boc-4-(aminomethyl)-3,3-difluoropyrrolidine
    • t-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate
    • tert-butyl4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate
    • (1-Boc-4,4-difluoro-3-pyrrolidinyl)methanamine
    • 1627595-60-1
    • LJBSWTXFLVTCDQ-UHFFFAOYSA-N
    • 1-tert-butyloxycarbonyl-4-aminomethyl-3,3-difluoropyrrolidine
    • AKOS024156516
    • EN300-91052
    • CQC59560
    • DB-405504
    • CS-0048256
    • SY261086
    • SCHEMBL16008355
    • MFCD27987655
    • P17202
    • AS-53853
    • Tert-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate
    • MDL: MFCD27987655
    • Inchi: 1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-7(4-13)10(11,12)6-14/h7H,4-6,13H2,1-3H3
    • InChI Key: LJBSWTXFLVTCDQ-UHFFFAOYSA-N
    • SMILES: FC1(CN(C(=O)OC(C)(C)C)CC1CN)F

Computed Properties

  • Exact Mass: 236.13363415 g/mol
  • Monoisotopic Mass: 236.13363415 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 277
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 55.6
  • Molecular Weight: 236.26

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 284.5±40.0 °C at 760 mmHg
  • Flash Point: 125.8±27.3 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Tert-Butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate Security Information

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