(15N2)urea

• ChemBase ID: 137178
• Molecular Formular: CH4N2O
• Molecular Mass: 62.0420778
• Monoisotopic Mass: 62.02643254
• SMILES: C(=O)([15NH2])[15NH2]
• Canonical SMILES: [15NH2]C(=O)[15NH2]
• InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i2+1,3+1
• InChIKey: XSQUKJJJFZCRTK-SUEIGJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^5N₂)urea
• IUPAC Traditional name: (^1^5N₂)urea
• Synonyms: Carbamide-15N2; Carbonyldiamide-15N2; Urea-15N2; 尿素-15N2

Database IDs

• CAS Number: 2067-80-3
• MDL Number: MFCD00064399
• PubChem SID: 24859045; 24872622; 162231443; 24872623
• PubChem CID: 10197611

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

• Melting Point: 132-135 °C(lit.)
• Mass Shift: M+2

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Isotopic Purity: 10 atom % 15N; 5 atom % 15N; 60 atom % 15N; 98 atom % 15N
• Mol. Weight: mol wt 60.15 by atom % calculation; mol wt 60.25 by atom % calculation; mol wt 61.25 by atom % calculation; mol wt 62.01 by atom % calculation
• Linear Formula: H215NCO15NH2

DETAILS

Sigma Aldrich - 490970

Packaging
25 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 316830

Packaging
1 g in glass bottle
250 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 490962

Packaging
50 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 490989

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.