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Home > Imidazoles > 94108-69-7
94108-69-7 | SODIUM (Z)-3-[2-[2-(HEPTADEC-8-ENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ETHOXY]PROPIONATE
CAS No: 94108-69-7 Catalog No: AG0067UA MDL No:
Product Description
Catalog Number:
AG0067UA
Chemical Name:
SODIUM (Z)-3-[2-[2-(HEPTADEC-8-ENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ETHOXY]PROPIONATE
CAS Number:
94108-69-7
Molecular Formula:
C25H45N2NaO3
Molecular Weight:
444.6262
IUPAC Name:
sodium;3-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethoxy]propanoate
InChI:
InChI=1S/C25H46N2O3.Na/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;/h9-10H,2-8,11-23H2,1H3,(H,28,29);/q;+1/p-1/b10-9-;
InChI Key:
JTTGPWBSDIKCQU-KVVVOXFISA-M
SMILES:
CCCCCCCC/C=C\CCCCCCCC1=NCCN1CCOCCC(=O)[O-].[Na+]
EC Number:
302-408-7
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
444.333g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.636g/mol
Monoisotopic Mass:
444.333g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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