D-Tyrosinol hydrochloride

C₉H₁₄ClNO₂CAS 40829-04-7203.67 g/mol

Open in Covalent MOL file

Alcohol Phenol Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

40829-04-7

SMILES

C1=CC(=CC=C1C[C@H](CO)N)O.Cl

InChIKey

PNGCRFWYSRUQTB-DDWIOCJRSA-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-;/m1./s1

Weigh it out

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

Work with D-Tyrosinol 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.

4-((2S)-2-Amino-3-hydroxypropyl)phenol hydrochloride87745-27-5Enantiomer

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

PubChem CAS Common Chemistry NIST WebBook