Ozenoxacin Impurity 8

CAT: 1299-RM-O262408-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O262408-01Size:10 mg

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CAS Number

1111637-92-3

Synonyms

N,3-dimethyl-5- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) pyridin-2-amine

Molecular Formula

C13H21BN2O2

Molecular Weight

248.13

Target Alternative Name

Ozenoxacin

Product Name Synonym

N,3-dimethyl-5- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) pyridin-2-amine

Chemical Information

N,3-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridin-2-amine

CAS Number	1111637-92-3
PubChem CID	57416512
IUPAC Name	N,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Molecular Formula	C13H21BN2O2
Molecular Weight	248.13
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	293

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)NC)C

InChI

InChI=1S/C13H21BN2O2/c1-9-7-10(8-16-11(9)15-6)14-17-12(2,3)13(4,5)18-14/h7-8H,1-6H3,(H,15,16)

InChIKey

VZNAKHVRKWXDMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1111637-92-3

CID: 57416512

Formula: C13H21BN2O2

MW: 248.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	248.13
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	248.1696081
Monoisotopic Mass	248.1696081
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes