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Home> Hot Product Listed 1   > 10-Undecenoic acid 2-amino-1-methylethyl ester
28462-85-3 structure

10-Undecenoic acid 2-amino-1-methylethyl ester

Iupac Name:(1R,3S,4S)-2,2,3,4-tetramethylbicyclo[2.2.1]heptan-3-ol
CAS No.:28462-85-3
EINECS(EC#): 268-322-6
Molecular Weight:168.28
Molecular Formula:C10H6N2O3 (isomer)
Names and Identifiers
Synonyms

AC1L31EC

Inchi
InChI=1S/C11H20O/c1-9(2)8-5-6-10(3,7-8)11(9,4)12/h8,12H,5-7H2,1-4H3/t8-,10+,11-/m1/s1
InChkey
AJVKAPQCJKEUSG-DVVUODLYSA-N
Canonical Smiles
CC1(C2CCC(C2)(C1(C)O)C)C
Isomers Smiles
C[C@@]12CC[C@H](C1)C([C@]2(C)O)(C)C
Properties
Density
1.41
Boiling Point
563.4°C at 760 mmHg
Vapour
0.0487mmHg at 25°C
Refractive Index
1.492
Computational chemical data
  • Molecular Weight:168.28g/mol
  • Molecular Formula:C10H6N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:168.151
  • Monoisotopic Mass:168.151
  • Complexity:221
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:3
  • 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: AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAAD0SAgAACAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAYAADAAAYAADAAA AA==
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