Benserazide Impurity 7

CAT: 1299-RM-B191807-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B191807-01Size:10 mg

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CAS Number

5625-41-2

Synonyms

3,6-bis (hydroxymethyl) piperazine-2,5-dione

Molecular Formula

C6H10N2O4

Molecular Weight

174.15

Target Alternative Name

Benserazide

Product Name Synonym

3,6-bis (hydroxymethyl) piperazine-2,5-dione

Chemical Information

3,6-Bis(hydroxymethyl)-2,5-piperazinedione

CAS Number	5625-41-2
PubChem CID	138542
IUPAC Name	3,6-bis(hydroxymethyl)piperazine-2,5-dione
Molecular Formula	C6H10N2O4
Molecular Weight	174.15
XLogP	-1.5
Topological Polar Surface Area	98.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	184

SMILES

C(C1C(=O)NC(C(=O)N1)CO)O

InChI

InChI=1S/C6H10N2O4/c9-1-3-5(11)8-4(2-10)6(12)7-3/h3-4,9-10H,1-2H2,(H,7,12)(H,8,11)

InChIKey

SUWGHSHLNOADHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5625-41-2

CID: 138542

Formula: C6H10N2O4

MW: 174.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.15
XLogP3	-1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	174.06405680
Monoisotopic Mass	174.06405680
Topological Polar Surface Area	98.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	184
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes