2-Aminoisobutyric acid benzyl ester hydrochloride - CAS 60421-20-7
Catalog: |
BB030684 |
Product Name: |
2-Aminoisobutyric acid benzyl ester hydrochloride |
CAS: |
60421-20-7 |
Synonyms: |
H-Aib-OBzl HCl; H-(Me)Ala-OBzl HCl; 2-Methylalanine benzyl ester hydrochloride |
IUPAC Name: | benzyl 2-amino-2-methylpropanoate;hydrochloride |
Description: | 2-Aminoisobutyric acid benzyl ester hydrochloride (CAS# 60421-20-7) is a useful research chemical compound. |
Molecular Weight: | 229.71 |
Molecular Formula: | C11H16ClNO2 |
Canonical SMILES: | CC(C)(C(=O)OCC1=CC=CC=C1)N.Cl |
InChI: | InChI=1S/C11H15NO2.ClH/c1-11(2,12)10(13)14-8-9-6-4-3-5-7-9;/h3-7H,8,12H2,1-2H3;1H |
InChI Key: | OXUUEIDXKLFLER-UHFFFAOYSA-N |
Melting Point: | 170-171 ℃ |
Purity: | ≥ 98 % (HPLC) |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD14155677 |
LogP: | 2.96940 |
Publication Number | Title | Priority Date |
CN-112047888-A | Method for synthesizing enzalutamide | 20190605 |
EP-3503895-A1 | Antiviral prodrugs of tenofovir | 20160825 |
US-10449208-B2 | Antiviral prodrugs of tenofovir | 20160825 |
US-2019183912-A1 | Antiviral prodrugs of tenofovir | 20160825 |
WO-2018039157-A1 | Antiviral prodrugs of tenofovir | 20160825 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0869564 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0869564 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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