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TC-H 106 5mg

CAT: 0628-A15357-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15357-5Size:5 mg
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CAS Number
937039-45-7

Chemical Information

Pimelic Diphenylamide 106

N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide is an aromatic amine and an aromatic amide.

CAS Number937039-45-7
PubChem CID16070100
IUPAC NameN'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide
Molecular FormulaC20H25N3O2
Molecular Weight339.4
XLogP2.8
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity419
SMILES
CC1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C20H25N3O2/c1-15-11-13-16(14-12-15)22-19(24)9-3-2-4-10-20(25)23-18-8-6-5-7-17(18)21/h5-8,11-14H,2-4,9-10,21H2,1H3,(H,22,24)(H,23,25)
InChIKey
WTKBRPXPNAKVEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimelic Diphenylamide 106
CAS: 937039-45-7
CID: 16070100
Formula: C20H25N3O2
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass339.19467705
Monoisotopic Mass339.19467705
Topological Polar Surface Area84.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity419
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

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