2-amino-N,N,4-trimethylpentanamide hydrochloride

• ChemBase ID: 258069
• Molecular Formular: C8H19ClN2O
• Molecular Mass: 194.70226
• Monoisotopic Mass: 194.11859092
• SMILES: C(=O)(C(CC(C)C)N)N(C)C.Cl
• Canonical SMILES: CC(CC(C(=O)N(C)C)N)C.Cl
• InChI: InChI=1S/C8H18N2O.ClH/c1-6(2)5-7(9)8(11)10(3)4;/h6-7H,5,9H2,1-4H3;1H
• InChIKey: WBAHRUNBZZZHKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N,4-trimethylpentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N,4-trimethylpentanamide hydrochloride
• Synonyms: 2-amino-N,N,4-trimethylpentanamide hydrochloride

Database IDs

• MDL Number: MFCD11505609
• PubChem SID: 164313979
• PubChem CID: 42944933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3598769
• LogD (pH = 7.4): -0.7449295
• Log P: 0.31580836
• Molar Refractivity: 45.7865 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 0.591

Product Information

• Purity: 95%