Dopamine Impurity 23

CAT: 1596-AR-D07557-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07557-01Size:10 Units

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CAS Number

15806-29-8

Molecular Formula

C10H15NO2

Molecular Weight

181.24

API Name

Dopa

Chemical Information

2-(2,4-Dimethoxyphenyl)ethan-1-amine

CAS Number	15806-29-8
PubChem CID	417604
IUPAC Name	2-(2,4-dimethoxyphenyl)ethanamine
Molecular Formula	C10H15NO2
Molecular Weight	181.23
XLogP	1.3
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	141

SMILES

COC1=CC(=C(C=C1)CCN)OC

InChI

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

InChIKey

YDTQAPOROITHCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15806-29-8

CID: 417604

Formula: C10H15NO2

MW: 181.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.23
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	181.110278721
Monoisotopic Mass	181.110278721
Topological Polar Surface Area	44.5 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