USD $30.00-30.00 / Kilogram
USD $10.00-16.00 / Kilogram
identification and related records
【name】
b-alanine, n-acetyl-n-ethyl-,ethyl ester
【cas registry number】
52304-40-2
【synonyms】
nsc144979
【molecular formula】
c9h17 n o3 (products with the same molecular formula)
【molecular weight】
187.2362
【inchi】
inchi=1/c9h17no3/c1-4-10(8(3)11)7-6-9(12)13-5-2/h4-7h2,1-3h3
【canonical smiles】
ccn(ccc(=o)occ)c(=o)c
chemical and physical properties
【density】
1.012g/cm3
【boiling point】
281.8°c at 760 mmhg
【refractive index】
1.445
【flash point】
124.2°c
【computed properties】
molecular weight:187.23618 [g/mol]
molecular formula:c9h17no3
xlogp3-aa:0.3
h-bond donor:0
h-bond acceptor:3
rotatable bond count:6
exact mass:187.120843
monoisotopic mass:187.120843
topological polar surface area:46.6
heavy atom count:13
formal charge:0
complexity:180
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
effective rotor count:7
conformer sampling rmsd:0.8
cid conformer count:149