sodium 2-aminoacetate hydrate

• ChemBase ID: 133609
• Molecular Formular: C2H6NNaO3
• Molecular Mass: 115.06371
• Monoisotopic Mass: 115.02453734
• SMILES: C(C(=O)[O-])N.O.[Na+]
• Canonical SMILES: [O-]C(=O)CN.O.[Na+]
• InChI: InChI=1S/C2H5NO2.Na.H2O/c3-1-2(4)5;;/h1,3H2,(H,4,5);;1H2/q;+1;/p-1
• InChIKey: CIJQGPVMMRXSQW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-aminoacetate hydrate
• IUPAC Traditional name: sodium glycinate hydrate
• Synonyms: Glycine sodium salt hydrate; 甘氨酸 钠盐 水合物

Database IDs

• CAS Number: 207300-76-3
• MDL Number: MFCD00150683
• PubChem SID: 162227886; 24853131; 24895270
• PubChem CID: 23671208

CALCULATED PROPERTIES

• Acid pKa: 2.307457
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4094565
• LogD (pH = 7.4): -3.4150424
• Log P: -3.4094596
• Molar Refractivity: 26.8405 cm^3
• Polarizability: 6.4318523 Å^3
• Polar Surface Area: 66.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197-201 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99% (TLC); 98%
• Linear Formula: H2NCH2CO2Na · xH2O

DETAILS

Sigma Aldrich - 219517

Packaging
100 g in poly bottle