(±)-Epinephrine hydrochloride

C₉H₁₄ClNO₃CAS 329-63-5219.66 g/mol

Open in Covalent MOL file

Alcohol Phenol Secondary amine

Properties

Molecular formula: C₉H₁₄ClNO₃
Molar mass: 219.66 g/mol
Exact mass: 219.0662 Da
Melting point: 157 °C
logP: 0.77Crippen estimate
Polar surface area: 72.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H311 Toxic in contact with skin95.1% of notifiers
H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

329-63-5

SMILES

CNCC(O)c1ccc(O)c(O)c1.Cl

InChIKey

ATADHKWKHYVBTJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, hydrochloride (1:1)
Benzyl alcohol, 3,4-dihydroxy-α-[(methylamino)methyl]-, hydrochloride, (±)-
1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, hydrochloride, (±)-
1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, hydrochloride
Dl-Epinephrine hydrochloride
(±)-Adrenaline hydrochloride
Dl-Adrenaline hydrochloride
Vaponefrin
Asthmanefrin
Racepinephrine hydrochloride
(+-)-Epinephrine hydrochloride

Work with (±)-Epinephrine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-4Free base, defined stereoisomer (±)-Adrenaline329-65-7Free base (-)-Epinephrine hydrochloride55-31-2Defined stereoisomer (-)-Epinephrine (+)-bitartrate51-42-3Salt, defined stereoisomer

Similar compounds

(+-)-Isoproterenol hydrochloride51-30-969 % similar Levisoprenaline hydrochloride5984-95-269 % similar (±)-Isoproterenol hydrochloride949-36-069 % similar Synephrine hydrochloride5985-28-465 % similar (-)-Phenylephrine hydrochloride61-76-763 % similar Isoproterenol7683-59-262 % similar (±)-Norepinephrine hydrochloride55-27-661 % similar Synephrine582-84-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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