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rac Epinephrine

CAT: 0572-TRC-E588585-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E588585-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
329-65-7
Synonyms
1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-; 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (±)-; Benzyl alcohol, 3,4-dihydroxy-α-[(methylamino)methyl]-, (±)- (8CI); (±)-Adrenaline; (±)-Epinephrine; 1-(3,4-Dihydroxy)phenyl-2-methylaminoethanol; 2-(Methylamino)-1-(3,4-dihydroxyphenyl)ethanol; DL-Adrenaline; Epirenamine; Racepinefrine; Racepinephrine; dl-Adrenaline; dl-Epinephrine; Dipivefrine Hydrochloride Impurity A; Dipivefrine Impurity A
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
CNCC(O)c1ccc(O)c(O)c1
Molecular Formula
C9 H13 N O3
Molecular Weight
183.2
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
Additionnal Information
IUPAC name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(+-)-Adrenaline

Adrenaline is a racemate comprising equimolar amounts of (R)-adrenaline and (S)-adrenaline. It has a role as a human metabolite. It contains a (R)-adrenaline and a (S)-adrenaline.

CAS Number329-65-7
PubChem CID838
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular FormulaC9H13NO3
Molecular Weight183.20
XLogP-1.4
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
CNCC(C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
InChIKey
UCTWMZQNUQWSLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Adrenaline
CAS: 329-65-7
CID: 838
Formula: C9H13NO3
MW: 183.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.20
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass183.08954328
Monoisotopic Mass183.08954328
Topological Polar Surface Area72.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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