N-(4-methoxyphenyl)formamide

• ChemBase ID: 139530
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: COc1ccc(cc1)NC=O
• Canonical SMILES: COc1ccc(cc1)NC=O
• InChI: InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10)
• InChIKey: SXEVZVMJNXOXIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)formamide
• IUPAC Traditional name: p-methoxyformanilde
• Synonyms: N-(4-Methoxyphenyl)formamide; 4'-甲氧基甲酰苯胺

Database IDs

• CAS Number: 5470-34-8
• EC Number: 226-802-2
• MDL Number: MFCD00086774
• PubChem SID: 162233778; 24881429
• PubChem CID: 79616

CALCULATED PROPERTIES

• Acid pKa: 15.999465
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0045862
• LogD (pH = 7.4): 1.0045862
• Log P: 1.0045862
• Molar Refractivity: 42.8937 cm^3
• Polarizability: 15.886515 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-82 °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%
• Empirical Formula (Hill Notation): C8H9NO2

DETAILS

Sigma Aldrich - 593249

Packaging
1 g in glass bottle