N,N-diethyl-2-hydroxybenzamide

• ChemBase ID: 142176
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: CCN(CC)C(=O)c1ccccc1O
• Canonical SMILES: CCN(C(=O)c1ccccc1O)CC
• InChI: InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3
• InChIKey: ZVYXEXAXXWINEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-hydroxybenzamide
• IUPAC Traditional name: salicylamide, N,N-diethyl-
• Synonyms: N,N-Diethylsalicylamide; N,N-二乙基水杨酰胺

Database IDs

• CAS Number: 19311-91-2
• EC Number: 242-955-8
• MDL Number: MFCD00010816
• PubChem SID: 162236406; 24883324
• PubChem CID: 88006

CALCULATED PROPERTIES

• Acid pKa: 8.176584
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3303819
• LogD (pH = 7.4): 2.2646391
• Log P: 2.3312888
• Molar Refractivity: 56.4079 cm^3
• Polarizability: 21.130424 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93-97 °C(lit.); 93-97°C

Safety Information

• RTECS: VN7320000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H15NO2

DETAILS

Sigma Aldrich - 644234

Packaging
5, 25 g in glass bottle