Metoclopramide Nitroso Impurity 84

CAT: 1299-RM-M200384-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M200384-01Size:10 mg

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CAS Number

7346-14-7

Synonyms

N, N'- (ethane-1,2-diyl) bis (N-ethylnitrous amide)

Molecular Formula

C6H14N4O2

Molecular Weight

174.2

Target Alternative Name

Metoclopramide

Chemical Information

Dinitroso-N,N'-diethylethylenediamine, N,N'-

CAS Number	7346-14-7
PubChem CID	23772
IUPAC Name	N-ethyl-N-[2-[ethyl(nitroso)amino]ethyl]nitrous amide
Molecular Formula	C6H14N4O2
Molecular Weight	174.20
XLogP	0.9
Topological Polar Surface Area	65.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	126

SMILES

CCN(CCN(CC)N=O)N=O

InChI

InChI=1S/C6H14N4O2/c1-3-9(7-11)5-6-10(4-2)8-12/h3-6H2,1-2H3

InChIKey

OZTCCANDHYUXMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7346-14-7

CID: 23772

Formula: C6H14N4O2

MW: 174.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.20
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	174.11167570
Monoisotopic Mass	174.11167570
Topological Polar Surface Area	65.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	126
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

Catalog	Name
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RM-M201884-01	Metaraminol Nitroso Impurity 84
RM-M200366-01	Metoclopramide Impurity 66
RM-M200365-01	Metoclopramide Impurity 65