(14C)urea

• ChemBase ID: 131799
• Molecular Formular: CH4N2O
• Molecular Mass: 62.04780199
• Monoisotopic Mass: 62.03560475
• SMILES: [14C](=O)(N)N
• Canonical SMILES: N[14C](=O)N
• InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+2
• InChIKey: XSQUKJJJFZCRTK-NJFSPNSNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^4C)urea
• IUPAC Traditional name: (^1^4C)urea
• Synonyms: Urea-14C

Database IDs

• CAS Number: 594-05-8
• MDL Number: MFCD00069936
• PubChem SID: 162226076; 24857915
• PubChem CID: 11457650

CALCULATED PROPERTIES

• Acid pKa: 15.731965
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -1.3638339
• LogD (pH = 7.4): -1.3638339
• Log P: -1.3638339
• Molar Refractivity: 13.1426 cm^3
• Polarizability: 5.02445 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+2

Safety Information

• European Hazard Symbols: R
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

DETAILS

Sigma Aldrich - 297526

包装
Screw-cap bottle