Cas no 157528-56-8 ((R)-1-Benzylpyrrolidine-3-carbonitrile)

(R)-1-Benzylpyrrolidine-3-carbonitrile structure
157528-56-8 structure
Product Name:(R)-1-Benzylpyrrolidine-3-carbonitrile
CAS No:157528-56-8
MF:C12H14N2
MW:186.252962589264
MDL:MFCD09951967
CID:1005047
PubChem ID:87561002
Update Time:2025-04-20

(R)-1-Benzylpyrrolidine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • (R)-1-Benzyl-3-pyrrolidinecarbonitrile
    • (3R)-1-benzylpyrrolidine-3-carbonitrile
    • (R)-1-BENZYL-PYRROLIDINE-3-CARBONITRILE
    • (3R)-3-cyano-1-benzylpyrrolidine
    • (R)-1-Benzyl-3-cyanopyrrolidine
    • EOS-61264
    • 3-Pyrrolidinecarbonitrile, 1-(phenylmethyl)-, (3R)-
    • (R)-1-BENZYLPYRROLIDINE-3-CARBONITRILE
    • RYCQUUNQHVAFSM-LBPRGKRZSA-N
    • B3299
    • (3R)-1-Benzylpyrrolidine-3a
    • AS-68748
    • SCHEMBL607249
    • AKOS015839147
    • DTXSID80363948
    • MFCD09951967
    • 157528-56-8
    • AKOS006283522
    • DB-247320
    • J-009419
    • (3R)-1-(phenylmethyl)-3-pyrrolidinecarbonitrile
    • (R)-1-Benzylpyrrolidine-3-carbonitrile
    • MDL: MFCD09951967
    • Inchi: 1S/C12H14N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m0/s1
    • InChI Key: RYCQUUNQHVAFSM-LBPRGKRZSA-N
    • SMILES: N1(CC2C=CC=CC=2)CC[C@@H](C#N)C1

Computed Properties

  • Exact Mass: 186.11600
  • Monoisotopic Mass: 186.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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
  • Topological Polar Surface Area: 27
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.08
  • Boiling Point: 313.3°C at 760 mmHg
  • Flash Point: 132.8°C
  • Refractive Index: 1.5340-1.5380
  • PSA: 27.03000
  • LogP: 1.96998

(R)-1-Benzylpyrrolidine-3-carbonitrile Security Information

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(R)-1-Benzylpyrrolidine-3-carbonitrile Production Method

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