Dopamine Impurity 47

CAT: 1596-AR-D07578-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07578-02Size:25 Units

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CAS Number

67287-36-9

Synonyms

2- (2-chloro-3,4-dimethoxyphenyl) ethan-1-amine

Molecular Formula

C10H14ClNO2

Molecular Weight

215.68

API Name

Dopa

Chemical Information

2-Chloro-3,4-dimethoxyphenethylamine

CAS Number	67287-36-9
PubChem CID	3017752
IUPAC Name	2-(2-chloro-3,4-dimethoxyphenyl)ethanamine
Molecular Formula	C10H14ClNO2
Molecular Weight	215.67
XLogP	1.8
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	168

SMILES

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

InChI

InChI=1S/C10H14ClNO2/c1-13-8-4-3-7(5-6-12)9(11)10(8)14-2/h3-4H,5-6,12H2,1-2H3

InChIKey

YTKGUKHQYUHYTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67287-36-9

CID: 3017752

Formula: C10H14ClNO2

MW: 215.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.67
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	215.0713064
Monoisotopic Mass	215.0713064
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	168
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