Dopamine Impurity 57

CAT: 1299-RM-D151657-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151657-02Size:25 mg

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CAS Number

32602-66-7

Synonyms

2-methoxy-4- (2- (methylamino) ethyl) phenol

Molecular Formula

C10H15NO2

Molecular Weight

181.24

Target Alternative Name

Dopamine

Product Name Synonym

2-methoxy-4- (2- (methylamino) ethyl) phenol

Chemical Information

2-Methoxy-4-(2-(methylamino)ethyl)phenol

CAS Number	32602-66-7
PubChem CID	22378615
IUPAC Name	2-methoxy-4-[2-(methylamino)ethyl]phenol
Molecular Formula	C10H15NO2
Molecular Weight	181.23
XLogP	0.7
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	141

SMILES

CNCCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C10H15NO2/c1-11-6-5-8-3-4-9(12)10(7-8)13-2/h3-4,7,11-12H,5-6H2,1-2H3

InChIKey

VGPSEFMDUHBQNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32602-66-7

CID: 22378615

Formula: C10H15NO2

MW: 181.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.23
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	181.110278721
Monoisotopic Mass	181.110278721
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141
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