KW-6055 10mg

CAT: 0628-A20718-10Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A20718-10Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

63233-46-5

Chemical Information

2-(4-Butyrylamino-2-nitrobenzyl)pyridine

CAS Number	63233-46-5
PubChem CID	3047323
IUPAC Name	N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]butanamide
Molecular Formula	C16H17N3O3
Molecular Weight	299.32
XLogP	2.6
Topological Polar Surface Area	87.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	383

SMILES

CCCC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3/c1-2-5-16(20)18-14-8-7-12(15(11-14)19(21)22)10-13-6-3-4-9-17-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,18,20)

InChIKey

CZKQVCYQBJJAGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63233-46-5

CID: 3047323

Formula: C16H17N3O3

MW: 299.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.32
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	299.12699141
Monoisotopic Mass	299.12699141
Topological Polar Surface Area	87.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	383
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