Iopromide Impurity 25 HCl

CAT: 1596-AR-I03793-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03793-01Size:10 Units

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CAS Number

874302-08-6

Synonyms

1-chloro-3- (methylamino) propan-2-ol, hydrochloride (1:1)

Molecular Formula

C4H10ClNO. HCl

Molecular Weight

123.58 36.46

API Name

Iopromide

Chemical Information

CID 71412863

CAS Number	874302-08-6
PubChem CID	71412863
IUPAC Name	1-chloro-3-(methylamino)propan-2-ol;hydrochloride
Molecular Formula	C4H11Cl2NO
Molecular Weight	160.04
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	42

SMILES

CNCC(CCl)O.Cl

InChI

InChI=1S/C4H10ClNO.ClH/c1-6-3-4(7)2-5;/h4,6-7H,2-3H2,1H3;1H

InChIKey

SOWFTJHWZOZLRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874302-08-6

CID: 71412863

Formula: C4H11Cl2NO

MW: 160.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.04
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	159.0217694
Monoisotopic Mass	159.0217694
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	42.7
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	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-I03768-01	Iopromide Impurity 46 HCl
AR-I03767-01	Iopromide Impurity 45 HCl
AR-I03801-01	Iopromide Impurity 35 HCl
AR-I03799-01	Iopromide Impurity 33 HCl
AR-I03809-01	Iopromide Impurity 43 HCl (Mixture of Diastereomers)
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