2-amino(1-13C)acetic acid

• ChemBase ID: 135197
• Molecular Formular: C2H5NO2
• Molecular Mass: 76.05925484
• Monoisotopic Mass: 76.03538324
• SMILES: C([13C](=O)O)N
• Canonical SMILES: NC[13C](=O)O
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i2+1
• InChIKey: DHMQDGOQFOQNFH-VQEHIDDOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino(1-^1^3C)acetic acid
• IUPAC Traditional name: amino(^1^3C)acetic acid
• Synonyms: Glycine-1-13C,2,2-d2; Glycine-1-13C; 甘氨酸-1-13C,2,2-d2; 甘氨酸-1-13C

Database IDs

• CAS Number: 20110-59-2
• MDL Number: MFCD00037548; MFCD04118222
• PubChem SID: 24856885; 162229472
• PubChem CID: 167874

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: M+1; M+3

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D; 99 atom % 13C
• Suitability: S & P tested
• Mol. Weight: mol wt 76.06 by atom % calculation; mol wt 78.02 by atom % calculation
• Linear Formula: H2NCD213CO2H; H2NCH213CO2H

DETAILS

Sigma Aldrich - 660728

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.

Sigma Aldrich - 608076

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.

Sigma Aldrich - 279420

Packaging
1 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.