N-[3-(diethylamino)-4-methoxyphenyl]acetamide

• ChemBase ID: 144683
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: CCN(CC)c1cc(ccc1OC)NC(=O)C
• Canonical SMILES: CCN(c1cc(ccc1OC)NC(=O)C)CC
• InChI: InChI=1S/C13H20N2O2/c1-5-15(6-2)12-9-11(14-10(3)16)7-8-13(12)17-4/h7-9H,5-6H2,1-4H3,(H,14,16)
• InChIKey: BTJCIVXKBILNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(diethylamino)-4-methoxyphenyl]acetamide
• IUPAC Traditional name: N-[3-(diethylamino)-4-methoxyphenyl]acetamide
• Synonyms: 3′-(Diethylamino)-4′-methoxyacetanilide; 4-Acetylamino-2-(diethylamino)anisole; N-[3-(二乙基氨基)-4-甲氧基苯基]乙酰胺; 3-(N,N-二乙基)氨基-4-甲氧基乙酰苯胺

Database IDs

• CAS Number: 19433-93-3
• EC Number: 243-058-4
• MDL Number: MFCD01075759
• PubChem SID: 162238895; 24879581
• PubChem CID: 88058

CALCULATED PROPERTIES

• Acid pKa: 14.861116
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8649621
• LogD (pH = 7.4): 1.8748176
• Log P: 1.8749447
• Molar Refractivity: 71.31 cm^3
• Polarizability: 26.229076 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93-97 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: CH3C(O)NHC6H3(OCH3)N(CH2CH3)2

DETAILS

Sigma Aldrich - 556769

Packaging
25 g in glass bottle