Cas no 70974-45-7 (1-Dodecanone,1-(1-pyrrolidinyl)-)

1-Dodecanone,1-(1-pyrrolidinyl)- structure
70974-45-7 structure
Product Name:1-Dodecanone,1-(1-pyrrolidinyl)-
CAS No:70974-45-7
MF:C16H31NO
MW:253.423444986343
CID:573033
PubChem ID:246839
Update Time:2025-04-19

1-Dodecanone,1-(1-pyrrolidinyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Dodecanone,1-(1-pyrrolidinyl)-
    • 1-pyrrolidin-1-yldodecan-1-one
    • 1-DODECANOYLPYRROLIDINE
    • N-Laurylpyrrolidine
    • FT-0607711
    • SCHEMBL249052
    • 1-(pyrrolidin-1-yl)dodecan-1-one
    • DTXSID30289346
    • starbld0002932
    • 70974-45-7
    • UGVISXRNXOQBBY-UHFFFAOYSA-N
    • NSC-60381
    • n-Dodecanoylpyrrolidine
    • AKOS003865907
    • NSC60381
    • Inchi: 1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h2-15H2,1H3
    • InChI Key: UGVISXRNXOQBBY-UHFFFAOYSA-N
    • SMILES: O=C(CCCCCCCCCCC)N1CCCC1

Computed Properties

  • Exact Mass: 253.24100
  • Monoisotopic Mass: 253.241
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 10
  • Complexity: 209
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.3A^2
  • XLogP3: 5.4

Experimental Properties

  • Density: 0.917
  • Boiling Point: 152-154°C 0,8mm
  • Flash Point: 153.5°C
  • Refractive Index: 1.473
  • PSA: 20.31000
  • LogP: 4.46760

1-Dodecanone,1-(1-pyrrolidinyl)- Security Information

  • Safety Instruction: S24/25
  • Safety Term:S24/25
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