Name: Name:[(tert-butoxy)carbonyl]({[4-(dimethyliminiumyl)-1,4-dihydropyridin-1-yl]sulfonyl})azanide
Brand: Angene
SKU: AG019L9X
Rating: 90 (10 reviews)

[(tert-butoxy)carbonyl]({[4-(dimethyliminiumyl)-1,4-dihydropyridin-1-yl]sulfonyl})azanide

CAS No.:

352275-00-4

Catalog Number:

AG019L9X

Molecular Formula:

C12H19N3O4S

Molecular Weight:

301.3620

Catalog Number:

AG019L9X

Chemical Name:

[(tert-butoxy)carbonyl]({[4-(dimethyliminiumyl)-1,4-dihydropyridin-1-yl]sulfonyl})azanide

CAS Number:

352275-00-4

Molecular Formula:

C12H19N3O4S

Molecular Weight:

301.3620

MDL Number:

MFCD24387682

IUPAC Name:

(1E)-N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate

InChI:

InChI=1S/C12H19N3O4S/c1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5/h6-9H,1-5H3

InChI Key:

KEQQONPVAQQBHG-UHFFFAOYSA-N

SMILES:

O=C([N-]S(=O)(=O)n1ccc(=[N+](C)C)cc1)OC(C)(C)C

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.361g/mol

Monoisotopic Mass:

301.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9