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Home > Imidazoles > 94108-87-9
94108-87-9 | (2-Hydroxyethyl)ammonium 3-(2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)propionate
CAS No: 94108-87-9 Catalog No: AG0067U7 MDL No:
Product Description
Catalog Number:
AG0067U7
Chemical Name:
(2-Hydroxyethyl)ammonium 3-(2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)propionate
CAS Number:
94108-87-9
Molecular Formula:
C27H55N3O4
Molecular Weight:
485.7433
IUPAC Name:
3-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate;2-hydroxyethylazanium
InChI:
InChI=1S/C25H48N2O3.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;3-1-2-4/h2-23H2,1H3,(H,28,29);4H,1-3H2
InChI Key:
GRVBVJGBFCOGMJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-].[NH3+]CCO
EC Number:
302-423-9
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.419g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
485.754g/mol
Monoisotopic Mass:
485.419g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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