chempirical

4-((2S)-2-Amino-3-hydroxypropyl)phenol hydrochloride

C9H14ClNO2CAS 87745-27-5203.67 g/mol

Open in Covalent MOL file
HOH2NOHHCl
AlcoholPhenolPrimary amine

Properties

Molecular formula
C9H14ClNO2
Molar mass
203.67 g/mol
Exact mass
203.0713 Da
logP
0.68Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87745-27-5
SMILES
C1=CC(=CC=C1C[C@@H](CO)N)O.Cl
InChIKey
PNGCRFWYSRUQTB-QRPNPIFTSA-N
InChI
InChI=1S/C9H13NO2.ClH/c10-8(6-11)5-7-1-3-9(12)4-2-7;/h1-4,8,11-12H,5-6,10H2;1H/t8-;/m0./s1

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Names and synonyms

1 names
  • L-Tyrosinol hydrochloride

Work with 4-((2S)-2-Amino-3-hydroxypropyl)phenol 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.

D-Tyrosinol hydrochloride40829-04-7Enantiomer

Similar compounds

Phenylalaninol16088-07-659 % similar L-Phenylalaninol3182-95-459 % similar D-Phenylalaninol5267-64-159 % similar Tyrosine hydrochloride16870-43-251 % similar H-Tyr-nh2 hcl53559-18-550 % similar 2-Amino-1,3-propanediol hydrochloride73708-65-348 % similar Tyramine hydrochloride60-19-547 % similar (R,R)-1,6-Diphenylhexane-2,5-diamine dihydrochloride1247119-31-846 % similar

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

Same formula

3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-5 2,4-Dimethoxybenzylamine hydrochloride20781-21-9 Synephrine hydrochloride5985-28-4 (-)-Phenylephrine hydrochloride61-76-7 Methyldopamine hydrochloride62-32-8 2-(2-Methoxyphenoxy)ethylamine hydrochloride64464-07-9 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-0

Elsewhere

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