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Home> Hot Product Listed 4   > 4,10-dihydrofusarubin
879403-42-6 structure

4,10-dihydrofusarubin

Iupac Name:tert-butyl (2S)-2-(aminomethyl)morpholine-4-carboxylate
CAS No.:879403-42-6
Molecular Weight:216.281
Molecular Formula:C16H11BRO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChkey
MTMBHUYOIZWQAJ-QMMMGPOBSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCOC(C1)CN
Properties
Refractive Index
1.477
Computational chemical data
  • Molecular Weight:216.281g/mol
  • Molecular Formula:C16H11BRO2
  • Compound Is Canonicalized:True
  • Exact Mass:216.147
  • Monoisotopic Mass:216.147
  • Complexity:225
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:64.8A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADFThgAYCCANABAAI AAAAGAAAAAAAAAAAAIAIAAACAAAAQAAPAAAAFgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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