3-Amino-L-tyrosine dihydrochloride

C₉H₁₄Cl₂N₂O₃CAS 23279-22-3269.12 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₉H₁₄Cl₂N₂O₃
Molar mass: 269.12 g/mol
Exact mass: 268.0381 Da
logP: 0.77Crippen estimate
Polar surface area: 109.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

23279-22-3

SMILES

Cl.Cl.Nc1cc(C[C@H](N)C(=O)O)ccc1O

InChIKey

PIFWBMTWCTUOOQ-KLXURFKVSA-N

InChI

InChI=1S/C9H12N2O3.2ClH/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;;/h1-3,7,12H,4,10-11H2,(H,13,14);2*1H/t7-;;/m0../s1

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Names and synonyms

2 names

L-Tyrosine, 3-amino-, dihydrochloride
Tyrosine, 3-amino-, dihydrochloride, L-

Work with 3-Amino-L-tyrosine dihydrochloride

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

Similar compounds

D-Dopa5796-17-871 % similar Dopa59-92-771 % similar Dl-dopa63-84-371 % similar 3-Fluoro-dl-tyrosine403-90-764 % similar 3-Iodo-L-tyrosine70-78-064 % similar 3-Chloro-L-tyrosine7423-93-064 % similar 3-Fluoro-L-tyrosine7423-96-364 % similar Tyrosine hydrochloride16870-43-264 % similar

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

Elsewhere

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