Amodiaquine impurity 1

CAT: 0013-GTR19280951-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19280951-01Size:10 mg

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Description

Amodiaquine impurity 1 is a contaminant found in Amodiaquine.

CAS Number

81099-86-7

Smiles

ClC=1C=CC=2C (=NC=CC2NC3=CC=C (O) C=C3) C1

Molecular Formula

C15H11ClN2O

Molecular Weight

270.72

Notes

For research use only.

Chemical Information

7-Chloro-4-(4-hydroxyanilino)quinoline

CAS Number	81099-86-7
PubChem CID	224178
IUPAC Name	4-[(7-chloroquinolin-4-yl)amino]phenol
Molecular Formula	C15H11ClN2O
Molecular Weight	270.71
XLogP	2
Topological Polar Surface Area	45.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	294

SMILES

C1=CC(=CC=C1NC2=C3C=CC(=CC3=NC=C2)Cl)O

InChI

InChI=1S/C15H11ClN2O/c16-10-1-6-13-14(7-8-17-15(13)9-10)18-11-2-4-12(19)5-3-11/h1-9,19H,(H,17,18)

InChIKey

FFAVTICKABAMSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81099-86-7

CID: 224178

Formula: C15H11ClN2O

MW: 270.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.71
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	270.0559907
Monoisotopic Mass	270.0559907
Topological Polar Surface Area	45.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	294
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
GTR19167061-01	Amodiaquine
GTR19215587	Amodiaquine hydrochloride
GTR19161148-01	Amodiaquine hydrochloride
GTR19154951-01	N-Desethyl amodiaquine
GTR19205334-01	N-Desethyl amodiaquine
GTR19177125-01	Amodiaquine dihydrochloride dihydrate
GTR19154955-01	N-Desethyl amodiaquine dihydrochloride
GTR19176593-01	N-Desethyl amodiaquine dihydrochloride
GTR19216057-01	Gefitinib impurity 1
GTR19281512-01	Apixaban impurity 1

Catalog	Name
AR-A02042-01	Amodiaquine Impurity A
RM-A131502-01	Amodiaquine Impurity 2
AR-A02044-01	Amodiaquine Impurity C
RM-A131503-01	Amodiaquine Impurity 3
HY-W008727-01	Amodiaquine impurity 1
AR-A02043-01	Amodiaquine Impurity B
HY-W008727R	Amodiaquine impurity 1 (Standard)
RM-A131505-01	Amodiaquine Nitroso Impurity 5
RM-A131504-01	Amodiaquine Nitroso Impurity 4
FC17879-01	Amodiaquine