N-(3-aminopropyl)-N-ethylacetamide

• ChemBase ID: 261057
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(N(CCCN)CC)C
• Canonical SMILES: NCCCN(C(=O)C)CC
• InChI: InChI=1S/C7H16N2O/c1-3-9(7(2)10)6-4-5-8/h3-6,8H2,1-2H3
• InChIKey: RPLYQULNDJPCKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)-N-ethylacetamide
• IUPAC Traditional name: N-(3-aminopropyl)-N-ethylacetamide
• Synonyms: N-(3-aminopropyl)-N-ethylacetamide

Database IDs

• MDL Number: MFCD11165371
• PubChem SID: 164316967
• PubChem CID: 43136487

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9716725
• LogD (pH = 7.4): -3.2473671
• Log P: -0.9631523
• Molar Refractivity: 41.8231 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34 - 36°C
• Hydrophobicity(logP): -0.156

Product Information

• Purity: 95%