Dopamine Impurity 101

CAT: 1299-RM-D151710-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151710-02Size:25 mg

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CAS Number

33542-90-4

Synonyms

2- (benzo[d][1,3]dioxol-4-yl) ethan-1-amine

Molecular Formula

C9H11NO2

Molecular Weight

165.19

Target Alternative Name

Dopamine

Product Name Synonym

2- (benzo[d][1,3]dioxol-4-yl) ethan-1-amine

Chemical Information

2-(1,3-Dioxaindan-4-yl)ethan-1-amine

CAS Number	33542-90-4
PubChem CID	15234962
IUPAC Name	2-(1,3-benzodioxol-4-yl)ethanamine
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	1.1
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

C1OC2=CC=CC(=C2O1)CCN

InChI

InChI=1S/C9H11NO2/c10-5-4-7-2-1-3-8-9(7)12-6-11-8/h1-3H,4-6,10H2

InChIKey

WGQBCGOHTNBZHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33542-90-4

CID: 15234962

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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