2-hydroxy-N-(2-hydroxyethyl)benzamide

• ChemBase ID: 111793
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: OCCNC(=O)c1ccccc1O
• Canonical SMILES: OCCNC(=O)c1ccccc1O
• InChI: InChI=1S/C9H11NO3/c11-6-5-10-9(13)7-3-1-2-4-8(7)12/h1-4,11-12H,5-6H2,(H,10,13)
• InChIKey: NCPLWPQEVIBZKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(2-hydroxyethyl)benzamide
• IUPAC Traditional name: salicylic acid ethanolamide
• Synonyms: N-Hydroxyethyl Salicylamide; N-(2-Hydroxyethyl)salicylamide; N-(2-羟乙基)水杨酰胺

Database IDs

• CAS Number: 24207-38-3
• EC Number: 246-076-0
• MDL Number: MFCD00002834
• PubChem SID: 162096806
• PubChem CID: 90407

CALCULATED PROPERTIES

• Acid pKa: 8.192023
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.70301944
• LogD (pH = 7.4): 0.63940465
• Log P: 0.70389485
• Molar Refractivity: 48.3063 cm^3
• Polarizability: 18.105108 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-117 °C(lit.)
• Boiling Point: 210-215 °C/2 mmHg(lit.)

Safety Information

• RTECS: VN7490000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: 2-(HO)C6H4CONHCH2CH2OH

DETAILS

MP Biomedicals - 05221014

MP Biomedicals Rare Chemical collection