CAS 56108-12-4 | 4-(tert-Butyl)benzamide | CAS Number 56108-12-4

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56108-12-4 | 4-(tert-Butyl)benzamide

CAS No: 56108-12-4 Catalog No: AG003M1M MDL No:MFCD00017139

Product Description

Catalog Number:

AG003M1M

Chemical Name:

4-(tert-Butyl)benzamide

CAS Number:

56108-12-4

Molecular Formula:

C11H15NO

Molecular Weight:

177.2429

MDL Number:

MFCD00017139

IUPAC Name:

4-tert-butylbenzamide

InChI:

InChI=1S/C11H15NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)

InChI Key:

VIPMBJSGYWWHAO-UHFFFAOYSA-N

SMILES:

NC(=O)c1ccc(cc1)C(C)(C)C

UNII:

5E7907Z6BM

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.247g/mol

Monoisotopic Mass:

177.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Formation of tubules by p-tert-butylphenylamide derivatives of chenodeoxycholic and ursodeoxycholic acids in aqueous solution.	Steroids 20121001
Supramolecular structures generated by a p-tert-butylphenylamide derivative of deoxycholic acid. From planar sheets to tubular structures through helical ribbons.	Langmuir : the ACS journal of surfaces and colloids 20100601
Cytotoxicity and acid ceramidase inhibitory activity of 2-substituted aminoethanol amides.	Chemistry and physics of lipids 20081101