[S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol hydrochloride

C9H14ClNOCAS 40626-29-7187.67 g/mol

Open in Covalent MOL file
H2NHOHCl
AlcoholPrimary amine

Properties

Molecular formula
C9H14ClNO
Molar mass
187.67 g/mol
Exact mass
187.0764 Da
Melting point
188–190 °C
logP
1.49Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
40626-29-7
SMILES
C[C@@H](N)[C@@H](O)c1ccccc1.Cl
InChIKey
DYWNLSQWJMTVGJ-PRCZDLBKSA-N
InChI
InChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9-;/m1./s1

Weigh it out

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

Names and synonyms

10 names
  • Benzenemethanol, α-[(1R)-1-aminoethyl]-, hydrochloride (1:1), (αS)-
  • Benzenemethanol, α-(1-aminoethyl)-, hydrochloride, [S-(R*,S*)]-
  • Benzenemethanol, α-[(1R)-1-aminoethyl]-, hydrochloride, (αS)-
  • d-Phenylpropanolamine hydrochloride
  • (R)-(+)-α-Norephedrine hydrochloride
  • (1S,2R)-(+)-Norephedrine hydrochloride
  • (+)-Phenylpropanolamine hydrochloride
  • (1S,2R)-Norephedrine hydrochloride
  • (+)-Norephedrine hydrochloride
  • Phenylpropanolamine hydrochloride, (+)-

Work with [S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol 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.

(-)-Phenylpropanolamine492-41-1Free base, enantiomer (+)-Phenylpropanolamine37577-28-9Free base Phenylpropanolamine hydrochloride154-41-6Enantiomer D-(-)-Norephedrine hydrochloride3198-15-0Enantiomer

Similar compounds

2-Amino-1-(4-chlorophenyl)propan-1-ol57908-21-158 % similar Dl-Ephedrine hydrochloride134-71-454 % similar (1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride24221-86-154 % similar Pseudoephedrine hydrochloride345-78-854 % similar (-)-Ephedrine hydrochloride50-98-654 % similar (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-353 % similar (S,S)-(-)-Hydrobenzoin2325-10-252 % similar (R,R)-Hydrobenzoin52340-78-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methyltyramine hydrochloride13062-76-5

Elsewhere

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