ethyl 2-amino-2,3-dimethylbutanoate hydrochloride

• ChemBase ID: 276924
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: C(C(=O)OCC)(N)(C(C)C)C.Cl
• Canonical SMILES: CCOC(=O)C(C(C)C)(N)C.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-5-11-7(10)8(4,9)6(2)3;/h6H,5,9H2,1-4H3;1H
• InChIKey: PBUCVMYATOCJQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-2,3-dimethylbutanoate hydrochloride
• IUPAC Traditional name: ethyl 2-amino-2,3-dimethylbutanoate hydrochloride
• Synonyms: ethyl 2-amino-2,3-dimethylbutanoate hydrochloride

Database IDs

• MDL Number: MFCD19686270
• PubChem SID: 164332834
• PubChem CID: 54594428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.92552114
• LogD (pH = 7.4): 0.7479171
• Log P: 1.2442518
• Molar Refractivity: 43.7239 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 1.327

Product Information

• Purity: 95%