(-)-Phenylpropanolamine

C₉H₁₃NOCAS 492-41-1151.21 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₉H₁₃NO
Molar mass: 151.21 g/mol
Exact mass: 151.0997 Da
Melting point: 49–50 °C
pKa: 9.44 (conjugate acid)
Water solubility: freely soluble
logP: 1.07Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

492-41-1

SMILES

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

InChIKey

DLNKOYKMWOXYQA-CBAPKCEASA-N

InChI

InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all

Benzenemethanol, α-[(1S)-1-aminoethyl]-, (αR)-
Benzenemethanol, α-(1-aminoethyl)-, [R-(R*,S*)]-
(αR)-α-[(1S)-1-Aminoethyl]benzenemethanol
Erythro-(1R,2S)-Norephedrine
l-Norephedrine
(-)-Norephedrine
(1R,2S)-(-)-Norephedrine
Norephedrine, (-)-
(-)-Erythro-2-Amino-2-methyl-1-phenylethanol
l-Phenylpropanolamine
(-)-Norephedrin
(1R,2S)-Norephedrine
(R,S)-(-)-Norephedrine
(1R,2S)-2-Amino-1-phenyl-1-propanol
NSC 17704
(1S,2R)-2-Hydroxy-2-phenyl-1-methyl-1-aminoethane
Phenylpropanolamine

Work with (-)-Phenylpropanolamine

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.

(+)-Phenylpropanolamine37577-28-9Enantiomer Phenylpropanolamine hydrochloride154-41-6Salt D-(-)-Norephedrine hydrochloride3198-15-0Salt [S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol hydrochloride40626-29-7Salt, enantiomer

Similar compounds

2-Amino-1-(4-chlorophenyl)propan-1-ol57908-21-163 % similar (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-359 % similar (S,S)-(-)-Hydrobenzoin2325-10-258 % similar (R,R)-Hydrobenzoin52340-78-058 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-158 % similar Hydrobenzoin655-48-158 % similar (1R,2S)-2-Amino-1,2-diphenylethanol23190-16-157 % similar (1S,2R)-(+)-2-Amino-1,2-diphenylethanol23364-44-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-p-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 3-Methoxy-N,N-dimethylbenzenamine15799-79-8 Phenylalaninol16088-07-6 4-(Dimethylamino)benzyl alcohol1703-46-4 (R)-3-Amino-3-phenylpropan-1-ol170564-98-4 3-Methoxyphenethylamine2039-67-0

Elsewhere

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