USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
identification and related records
【name】
n-cyclohexyl-3-methylbenzamide
【iupac name】
n-cyclohexyl-3-methylbenzamide
【cas registry number】
53205-66-6
【synonyms】
benzamide, n-cyclohexyl-3-methyl-
【molecular formula】
c14h19no (products with the same molecular formula)
【molecular weight】
217.3068
【inchi】
inchi=1/c14h19no/c1-11-6-5-7-12(10-11)14(16)15-13-8-3-2-4-9-13/h5-7,10,13h,2-4,8-9h2,1h3,(h,15,16)
【canonical smiles】
cc1=cc=cc(=c1)c(=o)nc2ccccc2
【mol file】
53205-66-6.mol
chemical and physical properties
【density】
1.04g/cm3
【boiling point】
369.9°c at 760 mmhg
【refractive index】
1.543
【flash point】
223°c
【computed properties】
molecular weight:217.30676 [g/mol]
molecular formula:c14h19no
xlogp3:3.3
h-bond donor:1
h-bond acceptor:1
rotatable bond count:2
tautomer count:2
exact mass:217.146664
monoisotopic mass:217.146664
topological polar surface area:29.1
heavy atom count:16
formal charge:0
complexity:233
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:1
feature 3d donor count:1
feature 3d ring count:2
effective rotor count:4.2
conformer sampling rmsd:0.6
cid conformer count:27