2-amino(1,2-12C2)acetic acid

• ChemBase ID: 135391
• Molecular Formular: C2H5NO2
• Molecular Mass: 75.04157401
• Monoisotopic Mass: 75.03202841
• SMILES: [12CH2]([12C](=O)O)[14NH2]
• Canonical SMILES: [14NH2][12CH2][12C](=O)O
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+0,2+0,3+0
• InChIKey: DHMQDGOQFOQNFH-SXRZRGFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino(1,2-^1^2C₂)acetic acid
• IUPAC Traditional name: amino(^1^2C₂)acetic acid
• Synonyms: Glycine-12C2,14N; 甘氨酸-12C2,14N

Database IDs

• MDL Number: MFCD08460922
• PubChem SID: 162229665
• PubChem CID: 71309262

CALCULATED PROPERTIES

• Acid pKa: 2.307457
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4094565
• LogD (pH = 7.4): -3.4150424
• Log P: -3.4094596
• Molar Refractivity: 16.0034 cm^3
• Polarizability: 6.549665 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 °C (dec.)(lit.)
• Mass Shift: depleted

Product Information

• Isotopic Purity: 99.9 atom % 12C; 99.9 atom % 14N
• Description: 13C,15N-depleted
• Mol. Weight: mol wt 75.04 by atom % calculation
• Linear Formula: H214N12CH212CO2H

DETAILS

Sigma Aldrich - 606774

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.