2-amino-4-methylpentanamide hydrochloride

• ChemBase ID: 132367
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: CC(C)CC(C(=O)N)N.Cl
• Canonical SMILES: NC(C(=O)N)CC(C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H
• InChIKey: VSPSRRBIXFUMOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methylpentanamide hydrochloride
• IUPAC Traditional name: 2-amino-4-methylpentanamide hydrochloride
• Synonyms: DL-Leucinamide hydrochloride; 2-Amino-4-methylpentanamide hydrochloride

Database IDs

• CAS Number: 10466-60-1
• MDL Number: MFCD00070244
• PubChem SID: 162226644; 24896497
• PubChem CID: 12866300

CALCULATED PROPERTIES

• Polarizability: 14.517068 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 16.691843
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8148656
• LogD (pH = 7.4): -1.2047069
• Log P: -0.13154377
• Molar Refractivity: 35.9931 cm^3

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%