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Salcaprozate Sodium Impurity 13

CAT: 1299-RM-S261713-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S261713-01Size:10 mg
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CAS Number
20073-95-4
Synonyms
N, N'- (hexane-1,6-diyl) bis (2-hydroxybenzamide)
Molecular Formula
C20H24N2O4
Molecular Weight
356.42
Target Alternative Name
Salcaprozate Sodium
Product Name Synonym
N, N'- (hexane-1,6-diyl) bis (2-hydroxybenzamide)

Chemical Information

Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CAS Number20073-95-4
PubChem CID209651
IUPAC Name2-hydroxy-N-[6-[(2-hydroxybenzoyl)amino]hexyl]benzamide
Molecular FormulaC20H24N2O4
Molecular Weight356.4
XLogP4
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity404
SMILES
C1=CC=C(C(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C20H24N2O4/c23-17-11-5-3-9-15(17)19(25)21-13-7-1-2-8-14-22-20(26)16-10-4-6-12-18(16)24/h3-6,9-12,23-24H,1-2,7-8,13-14H2,(H,21,25)(H,22,26)
InChIKey
RCZUFIIUHYDLDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CAS: 20073-95-4
CID: 209651
Formula: C20H24N2O4
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP34
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass356.17360725
Monoisotopic Mass356.17360725
Topological Polar Surface Area98.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes