--- Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C12H18ClNO4.
The synonym is 3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid methyl ester hydrochloride.
The computed molecular weight is 275.73 g/mol.
The parent compound is CID 11042814 (Methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate).
The component compounds are CID 11042814 (Methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate) and CID 313 (Hydrochloric Acid).
The IUPAC name is methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate;hydrochloride.
The InChI is InChI=1S/C12H17NO4.ClH/c1-15-10-5-4-8(6-11(10)16-2)9(13)7-12(14)17-3;/h4-6,9H,7,13H2,1-3H3;1H.
The InChIKey is VQJYRSLAXYCOFG-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C=C1)C(CC(=O)OC)N)OC.Cl.
The Topological Polar Surface Area is 70.8Ų.
Please kindly note that our products are for research use only.
Download