USD $9.00-99.00 / Kilogram
USD $8.20-8.80 / Kilogram
USD $9.00-99.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $50.00-60.00 / Metric Ton
USD $100.00-150.00 / Kilogram
USD $9.00-99.00 / Kilogram
【name】
4-piperidinone,1,3,5-trimethyl-2,6-diphenyl-
【cas registry number】
5554-59-6
【synonyms】
4-piperidone,1,3,5-trimethyl-2,6-diphenyl- (6ci,7ci,8ci)
1,3,5-trimethyl-2,6-diphenylpiperidin-4-one
nsc 364025
nsc 364080
【molecular formula】
c20h23 n o (products with the same molecular formula)
【molecular weight】
234.29422
【inchi】
inchi=1s/c13h18n2o2/c16-15(17)13-8-4-5-11(9-13)10-14-12-6-2-1-3-7-12/h4-5,8-9,12,14h,1-3,6-7,10h2
【canonical smiles】
c1ccc(cc1)ncc2=cc(=cc=c2)[n+](=o)[o-]
chemical and physical properties
【computed properties】
molecular weight:234.29422 [g/mol]
molecular formula:c13h18n2o2
xlogp3:3.3
h-bond donor:1
h-bond acceptor:3
rotatable bond count:3
exact mass:234.136828
monoisotopic mass:234.136828
topological polar surface area:57.8
heavy atom count:17
formal charge:0
complexity:246
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:2
feature 3d donor count:1
feature 3d anion count:1
feature 3d cation count:1
feature 3d ring count:2
effective rotor count:5.2
conformer sampling rmsd:0.6
cid conformer count:46