2-amino-N-(prop-2-en-1-yl)acetamide hydrochloride

• ChemBase ID: 49334
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: C(=O)(NCC=C)CN.Cl
• Canonical SMILES: NCC(=O)NCC=C.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c1-2-3-7-5(8)4-6;/h2H,1,3-4,6H2,(H,7,8);1H
• InChIKey: YWVGBKIILAFGAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(prop-2-en-1-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(prop-2-en-1-yl)acetamide hydrochloride
• Synonyms: 2-amino-N-(prop-2-en-1-yl)acetamide hydrochloride; N-Allyl-2-aminoacetamide hydrochloride

Database IDs

• MDL Number: MFCD13562392
• PubChem SID: 162054097
• PubChem CID: 53410800

CALCULATED PROPERTIES

• Acid pKa: 15.873044
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4922948
• LogD (pH = 7.4): -1.8090883
• Log P: -0.9994923
• Molar Refractivity: 31.885 cm^3
• Polarizability: 12.4346895 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): -0.831

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%