2-(2-aminoacetamido)acetic acid

• ChemBase ID: 135757
• Molecular Formular: C4H8N2O3
• Molecular Mass: 134.1047378
• Monoisotopic Mass: 134.04756191
• SMILES: C(C(=O)[15NH]CC(=O)O)[15NH2]
• Canonical SMILES: [15NH2]CC(=O)[15NH]CC(=O)O
• InChI: InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)/i5+1,6+1
• InChIKey: YMAWOPBAYDPSLA-MPOCSFTDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoacetamido)acetic acid
• IUPAC Traditional name: Gly-Gly
• Synonyms: 2-(2-aminoacetamido)acetic acid-15N2; Glycyl-glycine-15N2; 2-(2-氨基乙酰氨基)乙酸-15N2; 甘氨酰甘氨酸-15N2

Database IDs

• CAS Number: 108451-47-4
• MDL Number: MFCD12546024
• PubChem SID: 162230030
• PubChem CID: 71309412

CALCULATED PROPERTIES

• Acid pKa: 3.5200691
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.518133
• LogD (pH = 7.4): -4.5818744
• Log P: -4.5175953
• Molar Refractivity: 28.8069 cm^3
• Polarizability: 11.510928 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262-264 °C
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 134.07 by atom % calculation
• Linear Formula: 15NH2CH2CO15NHCH2COOH

DETAILS

Sigma Aldrich - 702560

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.