Cas no 127641-07-0 ((1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane)

(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane structure
127641-07-0 structure
Product Name:(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
CAS No:127641-07-0
MF:C12H16N2
MW:188.268842697144
MDL:MFCD09834144
CID:105609
PubChem ID:14612543
Update Time:2025-04-18

(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Chemical and Physical Properties

Names and Identifiers

    • (1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
    • (1R,4R)-3-BENZYL-2,5-DIAZABICYCLO[2.2.1]HEPTANE
    • 2,5-Diazabicyclo[2.2.1]heptane,2-(phenylmethyl)-, (1S,4S)-
    • 2,5-Diazabicyclo[2.2.1]heptane,2-(phenylmethyl)-,(1S,4S)-(9CI)
    • (1S,4S)-(+)-2-AZA-5-OXABICYCLO(2.2.1)HEPTANE HYDROCHLORIDE
    • (1S,4S)-(+)-2-Aza-5-oxabicyclo[2.2.1]heptane
    • (1S,4S)-(+)-2-Aza-5-oxabicyclo[2.2.1]heptane hydrochloride
    • (1S,4S)-2-benzyl-2,5-diazabicyclo(2.2.1)heptane
    • (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane monohydrochloride
    • (1S,4S)-N-Benzyl-2,5-diazabicyclo-[2.2.1]heptane
    • (1S,4S)-2-Benzyl-2,5-Diaza-bicyclo[2.2.1]heptane
    • 127641-07-0
    • 2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, (1S,4S)-
    • A2669
    • P17085
    • SCHEMBL2822843
    • JPRFUVVWNBBEDI-RYUDHWBXSA-N
    • EN300-145792
    • (1S,4S)-N-Benzyl-2,5-diazabicyclo[2.2.1]heptane
    • AKOS006281375
    • 1217977-97-3
    • (1S,4S)-rel-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
    • CS-0055625
    • MDL: MFCD09834144
    • Inchi: 1S/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11/h1-5,11-13H,6-9H2/t11-,12-/m0/s1
    • InChI Key: JPRFUVVWNBBEDI-RYUDHWBXSA-N
    • SMILES: N1(CC2C=CC=CC=2)C[C@@H]2C[C@H]1CN2

Computed Properties

  • Exact Mass: 188.13148
  • Monoisotopic Mass: 188.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 199
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • PSA: 15.27
  • LogP: 1.49940

(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Pricemore >>

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