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3-Aminocatechol

CAT: 0572-TRC-A603283-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A603283-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20734-66-1
Synonyms
3-Aminopyrocatechol; 2,3-Dihydroxyaniline; 3-Amino-1,2-benzenediol;
Hazard Statement
No Data Available
Smiles
OC(C(O)=CC=C1)=C1N
Molecular Formula
C6H7NO2
Molecular Weight
125.13
InChI
InChI=1S/C6H7NO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H,7H2
Additionnal Information
IUPAC name: 3-aminobenzene-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Catecholamine

Catecholamine is a group of sympathetic amines containing a catechol group derived from the amino acid tyrosine. Catecholamines are hormones and neuromodulators synthesized in the chromaffin cells of the adrenal glands and the postganglionic fibers of the sympathetic nervous system in response to stress. Examples of catecholamines are epinephrine (adrenaline), norepinephrine (noradrenaline) and dopamine, all of which participate in a wide variety of functions throughout the body.

CAS Number20734-66-1
PubChem CID189460
IUPAC Name3-aminobenzene-1,2-diol
Molecular FormulaC6H7NO2
Molecular Weight125.13
XLogP0.5
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C(=C1)O)O)N
InChI
InChI=1S/C6H7NO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H,7H2
InChIKey
MGBKJKDRMRAZKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Catecholamine
CAS: 20734-66-1
CID: 189460
Formula: C6H7NO2
MW: 125.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.13
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass125.047678466
Monoisotopic Mass125.047678466
Topological Polar Surface Area66.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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