(-)-Pseudoephedrine

C₁₀H₁₅NOCAS 321-97-1165.24 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₀H₁₅NO
Molar mass: 165.24 g/mol
Exact mass: 165.1154 Da
Melting point: 119 °C
logP: 1.33Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin26.9% of notifiers
H314 Causes severe skin burns and eye damage73.1% of notifiers
H315 Causes skin irritation26.9% of notifiers
H317 May cause an allergic skin reaction73.1% of notifiers
H318 Causes serious eye damage73.1% of notifiers
H319 Causes serious eye irritation26.9% of notifiers
H332 Harmful if inhaled26.9% of notifiers
H335 May cause respiratory irritation26.2% of notifiers

Aggregated from 145 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

321-97-1

SMILES

CN[C@H](C)[C@H](O)c1ccccc1

InChIKey

KWGRBVOPPLSCSI-SCZZXKLOSA-N

InChI

InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

Benzenemethanol, α-[(1R)-1-(methylamino)ethyl]-, (αR)-
Pseudoephedrine, (-)-
Benzenemethanol, α-[1-(methylamino)ethyl]-, [R-(R*,R*)]-
(αR)-α-[(1R)-1-(Methylamino)ethyl]benzenemethanol
D-(-)-Pseudoephedrine
l-Pseudoephedrine
(-)-ψ-Ephedrine
(1R,2R)-Ephedrine
(-)-Threo-Ephedrine
(1R,2R)-Pseudoephedrine
(1R,2R)-(-)-Pseudoephedrine
D-Pseudoephedrine
(-)-(1R,2R)-Pseudoephedrine
CPDD 0049
l-(1R,2R)-Pseudoephedrine
(R,R)-Pseudoephedrine

Work with (-)-Pseudoephedrine

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.

Pseudoephedrine90-82-4Enantiomer Ephedrine299-42-3Diastereomer Pseudoephedrine hydrochloride345-78-8Salt, enantiomer (-)-Ephedrine hydrochloride50-98-6Salt, diastereomer (1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride24221-86-1Salt, diastereomer Dl-Ephedrine hydrochloride134-71-4Salt, diastereomer (-)-Ephedrine sulfate134-72-5Salt, diastereomer

Similar compounds

(±)-Hydroxyephedrine365-26-468 % similar (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-355 % similar (S,S)-(-)-Hydrobenzoin2325-10-254 % similar (R,R)-Hydrobenzoin52340-78-054 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-154 % similar Hydrobenzoin655-48-154 % similar (αS)-N,α-Dimethylbenzenemethanamine19131-99-850 % similar (+)-Phenylpropanolamine37577-28-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Benzyl-N-methylethanolamine101-98-4 3-[1-(Dimethylamino)ethyl]phenol105601-04-5 2-Amino-4-tert-butylphenol1199-46-8 (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-8 N-Ethyl-4-methoxybenzylamine22993-76-6 N-Methyl-N-(2-hydroxyethyl)-p-toluidine2842-44-6 Perillartine30950-27-7

Elsewhere

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