USD $2.00-10.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $1.00-10.00 / Kilogram
【name】
butanal, 2-ethyl-,oxime
【iupac name】
(nz)-n-(2-ethylbutylidene)hydroxylamine
【cas registry number】
5399-18-8
【synonyms】
2-ethylbutanaloxime
2-ethylbutyraldoxime
nsc 1109
【molecular formula】
c6h13no (products with the same molecular formula)
【molecular weight】
115.1735
【inchi】
inchi=1/c6h13no/c1-3-6(4-2)5-7-8/h5-6,8h,3-4h2,1-2h3/b7-5-
【canonical smiles】
ccc(cc)c=no
【isomers smiles】
ccc(cc)/c=n\o
chemical and physical properties
【density】
0.89g/cm3
【boiling point】
179.7°cat760mmhg
【refractive index】
1.435
【flash point】
88.1°c
【computed properties】
molecular weight:115.17352 [g/mol]
molecular formula:c6h13no
xlogp3-aa:1.7
h-bond donor:1
h-bond acceptor:2
rotatable bond count:3
tautomer count:3
exact mass:115.099714
monoisotopic mass:115.099714
topological polar surface area:32.6
heavy atom count:8
formal charge:0
complexity:66.9
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:1
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:1
feature 3d anion count:1
feature 3d hydrophobe count:2
effective rotor count:3
conformer sampling rmsd:0.6
cid conformer count:13