ethyl 2-amino-3-methylpentanoate hydrochloride

• ChemBase ID: 284587
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: C(=O)(C(N)C(CC)C)OCC.Cl
• Canonical SMILES: CCOC(=O)C(C(CC)C)N.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H
• InChIKey: QQGRWNMNWONMOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502229
• PubChem SID: 180670118
• PubChem CID: 53395160

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.68269616
• LogD (pH = 7.4): 0.9190047
• Log P: 1.2560546
• Molar Refractivity: 43.6116 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): 1.547

Product Information

• Purity: 95%