2-amino-N-(2-methoxyethyl)benzamide

• ChemBase ID: 21922
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1(C(=O)NCCOC)c(N)cccc1
• Canonical SMILES: COCCNC(=O)c1ccccc1N
• InChI: InChI=1S/C10H14N2O2/c1-14-7-6-12-10(13)8-4-2-3-5-9(8)11/h2-5H,6-7,11H2,1H3,(H,12,13)
• InChIKey: NOIFBUUFNRHQDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 459836-89-6
• MDL Number: MFCD08444652
• PubChem SID: 160985229
• PubChem CID: 15943054

CALCULATED PROPERTIES

• Acid pKa: 15.381326
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.82075554
• LogD (pH = 7.4): 0.8216493
• Log P: 0.8216607
• Molar Refractivity: 55.777 cm^3
• Polarizability: 20.52676 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.616

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%