Cas no 497165-15-8 (4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-a,3a,8,8-tetramethyl-, (aR,3aS,4S,6S,7aR)-)

4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-a,3a,8,8-tetramethyl-, (aR,3aS,4S,6S,7aR)- structure
497165-15-8 structure
Product Name:4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-a,3a,8,8-tetramethyl-, (aR,3aS,4S,6S,7aR)-
CAS No:497165-15-8
MF:C12H22BNO2
MW:223.11958360672
CID:324677
PubChem ID:56972095
Update Time:2025-04-19

4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-a,3a,8,8-tetramethyl-, (aR,3aS,4S,6S,7aR)- Chemical and Physical Properties

Names and Identifiers

    • 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-a,3a,8,8-tetramethyl-, (aR,3aS,4S,6S,7aR)-
    • 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-a,3a,5,5-tetramethyl-, (aR,3aS,4S,6S,7aR)- (9CI)
    • (R)-BoroAla-(+)-Pinanediol
    • 497165-15-8
    • DTXSID80719325
    • (R)-1-((3AS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)ethan-1-amine
    • (1R)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine
    • (1R)-1-[(3aS,4S,6S,7aR)-3a,5,5-Trimethylhexahydro-2H-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethan-1-amine
    • SCHEMBL13050817
    • Inchi： 1S/C12H22BNO2/c1-7(14)13-15-10-6-8-5-9(11(8,2)3)12(10,4)16-13/h7-10H,5-6,14H2,1-4H3/t7-,8-,9-,10+,12-/m0/s1
    • InChI Key： AKMVYVLKQCECJH-GBVMLCMLSA-N
    • SMILES： O1B([C@H](C)N)O[C@@H]2C[C@@H]3C[C@H]([C@]12C)C3(C)C

Computed Properties

  • Exact Mass: 223.174
  • Monoisotopic Mass: 223.174
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 322
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 44.5A^2

Experimental Properties

  • PSA: 44.48000
  • LogP: 2.72130

4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-a,3a,8,8-tetramethyl-, (aR,3aS,4S,6S,7aR)- Pricemore >>

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