2-amino-N-(3-ethoxypropyl)benzamide

• ChemBase ID: 57940
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: c1(C(=O)NCCCOCC)c(N)cccc1
• Canonical SMILES: CCOCCCNC(=O)c1ccccc1N
• InChI: InChI=1S/C12H18N2O2/c1-2-16-9-5-8-14-12(15)10-6-3-4-7-11(10)13/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15)
• InChIKey: APTOGYUOKHAHRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3-ethoxypropyl)benzamide
• IUPAC Traditional name: 2-amino-N-(3-ethoxypropyl)benzamide
• Synonyms: 2-Amino-N-(3-ethoxypropyl)benzamide

Database IDs

• MDL Number: MFCD08444973
• PubChem SID: 162062703
• PubChem CID: 16228400

CALCULATED PROPERTIES

• Acid pKa: 15.411959
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2375636
• LogD (pH = 7.4): 1.2384175
• Log P: 1.2384284
• Molar Refractivity: 65.391 cm^3
• Polarizability: 24.202656 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.456

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%