Razoxane

CAT: 0127-BUP03405-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03405-03Size:10 mg

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CAS Number

21416-67-1

Purity

=98%

Smiles

CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1

Chemical Information

Razoxane

Razoxane is a N-alkylpiperazine.

CAS Number	21416-67-1
PubChem CID	30623
IUPAC Name	4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
Molecular Formula	C11H16N4O4
Molecular Weight	268.27
XLogP	-1.4
Topological Polar Surface Area	98.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	404

SMILES

CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2

InChI

InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)

InChIKey

BMKDZUISNHGIBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21416-67-1

CID: 30623

Formula: C11H16N4O4

MW: 268.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.27
XLogP3	-1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	268.11715500
Monoisotopic Mass	268.11715500
Topological Polar Surface Area	98.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes