Benserazide Impurity 6

CAT: 1299-RM-B191806-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B191806-02Size:25 mg

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CAS Number

13558-04-8

Synonyms

2-amino-N'- (2-amino-3-hydroxypropanoyl) -3-hydroxypropanehydrazide

Molecular Formula

C6H14N4O4

Molecular Weight

206.2

Target Alternative Name

Benserazide

Product Name Synonym

2-amino-N'- (2-amino-3-hydroxypropanoyl) -3-hydroxypropanehydrazide

Chemical Information

Benserazide Impurity 54

CAS Number	13558-04-8
PubChem CID	176479471
IUPAC Name	2-amino-N'-(2-amino-3-hydroxypropanoyl)-3-hydroxypropanehydrazide
Molecular Formula	C6H14N4O4
Molecular Weight	206.20
XLogP	-4.1
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

C(C(C(=O)NNC(=O)C(CO)N)N)O

InChI

InChI=1S/C6H14N4O4/c7-3(1-11)5(13)9-10-6(14)4(8)2-12/h3-4,11-12H,1-2,7-8H2,(H,9,13)(H,10,14)

InChIKey

HOVMPHBVMISUAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13558-04-8

CID: 176479471

Formula: C6H14N4O4

MW: 206.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.20
XLogP3	-4.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	206.10150494
Monoisotopic Mass	206.10150494
Topological Polar Surface Area	151 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
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