3-amino-N-methyl-N-phenylpropanamide hydrochloride

• ChemBase ID: 258170
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)(N(c1ccccc1)C)CCN.Cl
• Canonical SMILES: NCCC(=O)N(c1ccccc1)C.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-12(10(13)7-8-11)9-5-3-2-4-6-9;/h2-6H,7-8,11H2,1H3;1H
• InChIKey: YMVQNZXEBGIJQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-methyl-N-phenylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N-methyl-N-phenylpropanamide hydrochloride
• Synonyms: 3-amino-N-methyl-N-phenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD11505632
• PubChem SID: 164314080
• PubChem CID: 42938252

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.3230512
• Log P: 0.38790515
• Molar Refractivity: 52.096 cm^3
• Polarizability: 20.41868 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5460684

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 0.753

Product Information

• Purity: 95%