3-amino-N,N-diethylpropanamide hydrochloride

• ChemBase ID: 48787
• Molecular Formular: C7H17ClN2O
• Molecular Mass: 180.67568
• Monoisotopic Mass: 180.10294085
• SMILES: C(=O)(N(CC)CC)CCN.Cl
• Canonical SMILES: NCCC(=O)N(CC)CC.Cl
• InChI: InChI=1S/C7H16N2O.ClH/c1-3-9(4-2)7(10)5-6-8;/h3-6,8H2,1-2H3;1H
• InChIKey: LZRWOYMCZBMHKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-diethylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N,N-diethylpropanamide hydrochloride
• Synonyms: 3-Amino-N,N-diethylpropanamide hydrochloride

Database IDs

• CAS Number: 34105-56-1
• MDL Number: MFCD07366747
• PubChem SID: 162053550
• PubChem CID: 17750337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.490489
• LogD (pH = 7.4): -2.2677517
• Log P: -0.5564374
• Molar Refractivity: 41.8156 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false