CAS 88502-94-7 | 6-Azabicyclo[3.2.1]octane, 6-benzoyl-1,3,3-trimethyl- | CAS Number 88502-94-7

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Heterocycles > 88502-94-7

88502-94-7 | 6-Azabicyclo[3.2.1]octane, 6-benzoyl-1,3,3-trimethyl-

CAS No: 88502-94-7 Catalog No: AG0048A5 MDL No:

Product Description

Catalog Number:

AG0048A5

Chemical Name:

6-Azabicyclo[3.2.1]octane, 6-benzoyl-1,3,3-trimethyl-

CAS Number:

88502-94-7

Molecular Formula:

C17H23NO

Molecular Weight:

257.3706

IUPAC Name:

phenyl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

InChI:

InChI=1S/C17H23NO/c1-16(2)9-14-10-17(3,11-16)12-18(14)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3

InChI Key:

VBARFZRVWLOROJ-UHFFFAOYSA-N

SMILES:

O=C(N1CC2(CC1CC(C2)(C)C)C)c1ccccc1

Properties

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.377g/mol

Monoisotopic Mass:

257.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501