(2R)-2-amino(1-13C)butanoic acid

• ChemBase ID: 135556
• Molecular Formular: C4H9NO2
• Molecular Mass: 104.11241484
• Monoisotopic Mass: 104.06668337
• SMILES: CC[C@H]([13C](=O)O)N
• Canonical SMILES: CC[C@H]([13C](=O)O)N
• InChI: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1/i4+1
• InChIKey: QWCKQJZIFLGMSD-AVODWXSXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino(1-^1^3C)butanoic acid
• IUPAC Traditional name: (2R)-2-amino(1-^1^3C)butanoic acid
• Synonyms: D-2-Aminobutyric acid-1-13C; D-2-氨基丁酸-1-13C

Database IDs

• MDL Number: MFCD09842721
• PubChem SID: 162229830
• PubChem CID: 71309312

CALCULATED PROPERTIES

• Acid pKa: 2.615755
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3183894
• LogD (pH = 7.4): -2.3208885
• Log P: -2.3181498
• Molar Refractivity: 25.0213 cm^3
• Polarizability: 10.177998 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C
• Mass Shift: M+1

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 99 atom % 13C
• Linear Formula: CH3CH2CH(NH2)13COOH

DETAILS

Sigma Aldrich - 678236

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.