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.

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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 1-(2-Aminoethoxy)-2-methoxybenzene hydrochloride64464-07-9 3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-0

Elsewhere

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