aminomethane(15N)nitrile

• ChemBase ID: 135257
• Molecular Formular: CH2N2
• Molecular Mass: 44.0267978
• Monoisotopic Mass: 44.01586786
• SMILES: C(#[15N])[15NH2]
• Canonical SMILES: [15NH2]C#[15N]
• InChI: InChI=1S/CH2N2/c2-1-3/h2H2/i2+1,3+1
• InChIKey: XZMCDFZZKTWFGF-SUEIGJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aminomethane(^1^5N)nitrile
• IUPAC Traditional name: aminomethane(^1^5N)nitrile
• Synonyms: Cyanamide-15N2 solution; 氰胺-15N2 溶液

Database IDs

• MDL Number: MFCD00190520
• PubChem SID: 162229532
• PubChem CID: 11040615

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

• Mass Shift: M+2

Product Information

• Concentration: 50 wt. % in H2O
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 43.99 by atom % calculation
• Linear Formula: H215NC15N

DETAILS

Sigma Aldrich - 608912

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.