Amodiaquine Impurity 3

CAT: 1299-RM-A131503-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A131503-01Size:10 mg

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CAS Number

121-78-8

Synonyms

N- (3- ((diethylamino) methyl) -4-hydroxyphenyl) acetamide

Molecular Formula

C13H20N2O2

Molecular Weight

236.31

Target Alternative Name

Amodiaquine

Product Name Synonym

N- (3- ((diethylamino) methyl) -4-hydroxyphenyl) acetamide

Chemical Information

4-Acetamido-2-diethylaminomethylphenol

CAS Number	121-78-8
PubChem CID	224175
IUPAC Name	N-[3-(diethylaminomethyl)-4-hydroxyphenyl]acetamide
Molecular Formula	C13H20N2O2
Molecular Weight	236.31
XLogP	1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	242

SMILES

CCN(CC)CC1=C(C=CC(=C1)NC(=O)C)O

InChI

InChI=1S/C13H20N2O2/c1-4-15(5-2)9-11-8-12(14-10(3)16)6-7-13(11)17/h6-8,17H,4-5,9H2,1-3H3,(H,14,16)

InChIKey

BOUCRWJEKAGKKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-78-8

CID: 224175

Formula: C13H20N2O2

MW: 236.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.31
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	236.152477885
Monoisotopic Mass	236.152477885
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	242
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
RM-A131502-01	Amodiaquine Impurity 2
RM-A131505-01	Amodiaquine Nitroso Impurity 5
RM-A131504-01	Amodiaquine Nitroso Impurity 4
RM-A131500-01	Amodiaquine
RM-A131501-01	N-Desethyl Amodiaquine Dihcl
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-A042503-01	Doxorubicinol Impurity 3
RM-C061729-01	Cefoperazone Impurity 3
RM-A220103-01	Avatrombopag Impurity 3
RM-V090103-01	Vincamine Impurity 3

Catalog	Name
AR-A02042-01	Amodiaquine Impurity A
GTR19280951-01	Amodiaquine impurity 1
AR-A02044-01	Amodiaquine Impurity C
AR-A02043-01	Amodiaquine Impurity B
HY-W008727R	Amodiaquine impurity 1 (Standard)
FC17879-01	Amodiaquine
CS-O-02890	Amodiaquine-d10
MBS3842449-01	Amodiaquine hydrochloride