amino(13C)formonitrile

• ChemBase ID: 135082
• Molecular Formular: CH2N2
• Molecular Mass: 43.03263484
• Monoisotopic Mass: 43.02515291
• SMILES: [13C](#N)N
• Canonical SMILES: N[13C]#N
• InChI: InChI=1S/CH2N2/c2-1-3/h2H2/i1+1
• InChIKey: XZMCDFZZKTWFGF-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: amino(^1^3C)formonitrile
• IUPAC Traditional name: amino(^1^3C)formonitrile
• Synonyms: Cyanamide-13C solution; Cyanamide-13C; 氰胺-13C 溶液

Database IDs

• CAS Number: 21420-35-9
• MDL Number: MFCD00190295
• PubChem SID: 162229357
• PubChem CID: 45038720

CALCULATED PROPERTIES

• Acid pKa: 10.868943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.64494234
• LogD (pH = 7.4): -0.64494234
• Log P: -0.64494234
• Molar Refractivity: 10.8777 cm^3
• Polarizability: 3.6036916 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 45-46°C
• Mass Shift: M+1

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Concentration: 50 wt. % in H2O
• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 43.02 by atom % calculation
• Linear Formula: H2N13CN

DETAILS

Sigma Aldrich - 604534

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.