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138519-53-6 | 2-Propenoic acid, 2-methyl-, 2-hydroxy-3-[(2-hydroxybutyl)[2-(2-oxo-1-imidazolidinyl)ethyl]amino]propyl ester
CAS No: 138519-53-6 Catalog No: AG0019CG MDL No:
Product Description
Catalog Number:
AG0019CG
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-hydroxy-3-[(2-hydroxybutyl)[2-(2-oxo-1-imidazolidinyl)ethyl]amino]propyl ester
CAS Number:
138519-53-6
Molecular Formula:
C16H29N3O5
Molecular Weight:
343.4186
IUPAC Name:
[2-hydroxy-3-[2-hydroxybutyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C16H29N3O5/c1-4-13(20)9-18(7-8-19-6-5-17-16(19)23)10-14(21)11-24-15(22)12(2)3/h13-14,20-21H,2,4-11H2,1,3H3,(H,17,23)
InChI Key:
ZFJKCCADKFZVQF-UHFFFAOYSA-N
SMILES:
CCC(CN(CC(COC(=O)C(=C)C)O)CCN1CCNC1=O)O
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.424g/mol
Monoisotopic Mass:
343.211g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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