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Home> Hot Product Listed R   > Resin acids and Rosinacids, epoxidized
146986-50-7 structure

Resin acids and Rosinacids, epoxidized

Iupac Name:4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CAS No.:146986-50-7
Molecular Weight:247.342
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Resin acids and Rosin acids, epoxidized

Inchi
InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m1/s1
InChkey
IYOZTVGMEWJPKR-VOMCLLRMSA-N
Canonical Smiles
CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
Isomers Smiles
C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
Properties
Vapour
9.74E-09mmHg at 25°C
Refractive Index
1.578
Safety and Handling
Risk Statements
20/21/22
Safety Statements
36
Computational chemical data
  • Molecular Weight:247.342g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:247.168
  • Monoisotopic Mass:247.168
  • Complexity:268
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:68A^2
  • Heavy Atom Count:18
  • 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: AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABgAAAHgAQAAAADSjBkgQ+wJLIEACo ADV3VACCgCAxAiAI2KE4ZJgIIHLA0dGEJAhglADIyAcYiMCOAAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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