2-hydroxyethyl carbamate

• ChemBase ID: 286253
• Molecular Formular: C3H7NO3
• Molecular Mass: 105.09258
• Monoisotopic Mass: 105.04259309
• SMILES: C(=O)(N)OCCO
• Canonical SMILES: NC(=O)OCCO
• InChI: InChI=1S/C3H7NO3/c4-3(6)7-2-1-5/h5H,1-2H2,(H2,4,6)
• InChIKey: BTDQXGUEVVTAMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01738425
• PubChem SID: 180671784
• PubChem CID: 21492

CALCULATED PROPERTIES

• Acid pKa: 14.795157
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1010993
• LogD (pH = 7.4): -1.1010993
• Log P: -1.1010993
• Molar Refractivity: 22.3818 cm^3
• Polarizability: 8.944007 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.325

Product Information

• Purity: 95%