2-amino-N,N-diethylpropanamide hydrochloride

• ChemBase ID: 48729
• Molecular Formular: C7H17ClN2O
• Molecular Mass: 180.67568
• Monoisotopic Mass: 180.10294085
• SMILES: C(=O)(N(CC)CC)C(N)C.Cl
• Canonical SMILES: CCN(C(=O)C(N)C)CC.Cl
• InChI: InChI=1S/C7H16N2O.ClH/c1-4-9(5-2)7(10)6(3)8;/h6H,4-5,8H2,1-3H3;1H
• InChIKey: KRKCYESHILXJAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-diethylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N-diethylpropanamide hydrochloride
• Synonyms: 2-Amino-N,N-diethylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD11505493
• PubChem SID: 162053492
• PubChem CID: 42940953

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.874829
• LogD (pH = 7.4): -1.2452663
• Log P: -0.22468589
• Molar Refractivity: 41.6101 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 0.192

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%