Iopromide Nitroso Impurity 69

CAT: 1299-RM-I151869-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I151869-01Size:10 mg

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CAS Number

86451-37-8

Synonyms

N- (2,3-dihydroxypropyl) -N-methylnitrous amide

Molecular Formula

C4H10N2O3

Molecular Weight

134.14

Target Alternative Name

Iopromide

Product Name Synonym

N- (2,3-dihydroxypropyl) -N-methylnitrous amide

Chemical Information

3-(Methylnitrosoamino)-1,2-propanediol

CAS Number	86451-37-8
PubChem CID	128823
IUPAC Name	N-(2,3-dihydroxypropyl)-N-methylnitrous amide
Molecular Formula	C4H10N2O3
Molecular Weight	134.13
XLogP	-1.1
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

CN(CC(CO)O)N=O

InChI

InChI=1S/C4H10N2O3/c1-6(5-9)2-4(8)3-7/h4,7-8H,2-3H2,1H3

InChIKey

YHOZMWRNWDWYKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86451-37-8

CID: 128823

Formula: C4H10N2O3

MW: 134.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.13
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	134.06914219
Monoisotopic Mass	134.06914219
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.9
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

Catalog	Name
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RM-A131969-01	Amisulpride Nitroso Impurity 69
RM-Q201669-01	Quetiapine Nitroso Impurity 69
RM-B191669-01	Bisoprolol Nitroso Impurity 69
RM-I151843-01	Iopromide Impurity 43
RM-I151810-01	Iopromide Impurity 10
RM-I151820-01	Iopromide Impurity 20
RM-I151827-01	Iopromide Impurity 27

Catalog	Name
AR-I03778-01	N-Nitroso Iopromide EP Impurity A
AR-I03780-01	N2-Nitroso Iopromide EP Impurity H
AR-I03779-01	N1-Nitroso Iopromide EP Impurity H
AR-I01628-01	Iopromide Impurity A
AR-I03792-01	Iopromide Impurity 24
AR-I03770-01	Iopromide Impurity 50
AR-I03755-01	Iopromide Impurity 3
AR-I03777-01	Iopromide Impurity 58
AR-I03774-01	Iopromide Impurity 55
AR-I03771-01	Iopromide Impurity 51