phenyl N-(2-hydroxyethyl)carbamate

• ChemBase ID: 272210
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: C(=O)(Oc1ccccc1)NCCO
• Canonical SMILES: OCCNC(=O)Oc1ccccc1
• InChI: InChI=1S/C9H11NO3/c11-7-6-10-9(12)13-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
• InChIKey: ZGXHYTYJUGGTMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(2-hydroxyethyl)carbamate
• IUPAC Traditional name: phenyl N-(2-hydroxyethyl)carbamate
• Synonyms: phenyl N-(2-hydroxyethyl)carbamate

Database IDs

• MDL Number: MFCD00462428
• PubChem SID: 164328120
• PubChem CID: 10932043

CALCULATED PROPERTIES

• Acid pKa: 14.566763
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7805353
• LogD (pH = 7.4): 0.7805353
• Log P: 0.7805353
• Molar Refractivity: 47.0561 cm^3
• Polarizability: 18.376297 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.559

Product Information

• Purity: 95%