2-amino(2H2)acetic acid

• ChemBase ID: 149947
• Molecular Formular: C2H5NO2
• Molecular Mass: 75.0666
• Monoisotopic Mass: 75.03202841
• SMILES: C(C(=O)O)N
• Canonical SMILES: NCC(=O)O
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino(^2H₂)acetic acid
• IUPAC Traditional name: amino(^2H₂)acetic acid
• Synonyms: Glycine-2,2-d2; 甘氨酸-2,2-d2

Database IDs

• CAS Number: 4896-75-7
• MDL Number: MFCD00075077
• PubChem SID: 162244109; 24860381
• PubChem CID: 12999334

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+2

Safety Information

• German water hazard class: 1

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 77.04 by atom % calculation
• Linear Formula: H2NCD2CO2H

DETAILS

Sigma Aldrich - 336459

Packaging
5 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.