Dopamine Impurity 87

CAT: 1299-RM-D151695-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-D151695-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

579-59-9

Synonyms

3- (2-aminoethyl) benzene-1,2-diol

Molecular Formula

C8H11NO2

Molecular Weight

153.18

Target Alternative Name

Dopamine

Product Name Synonym

3- (2-aminoethyl) benzene-1,2-diol

Chemical Information

3-(2-Aminoethyl)benzene-1,2-diol

3-(2-aminoethyl)benzene-1,2-diol is a primary amine.

CAS Number	579-59-9
PubChem CID	12707042
IUPAC Name	3-(2-aminoethyl)benzene-1,2-diol
Molecular Formula	C8H11NO2
Molecular Weight	153.18
XLogP	0.5
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

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

InChI

InChI=1S/C8H11NO2/c9-5-4-6-2-1-3-7(10)8(6)11/h1-3,10-11H,4-5,9H2

InChIKey

SYHVBRQKMHIAJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 579-59-9

CID: 12707042

Formula: C8H11NO2

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	153.078978594
Monoisotopic Mass	153.078978594
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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