bis(methyl 2-aminoacetate) hydrochloride

• ChemBase ID: 293250
• Molecular Formular: C6H15ClN2O4
• Molecular Mass: 214.6473
• Monoisotopic Mass: 214.07203465
• SMILES: O=C(OC)CN.Cl.O=C(OC)CN
• Canonical SMILES: NCC(=O)OC.NCC(=O)OC.Cl
• InChI: InChI=1S/2C3H7NO2.ClH/c2*1-6-3(5)2-4;/h2*2,4H2,1H3;1H
• InChIKey: NVFYYIKIOAQVBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(methyl 2-aminoacetate) hydrochloride
• IUPAC Traditional name: bis(methyl 2-aminoacetate) hydrochloride
• Synonyms: Methyl 2-aminoacetate hydrochloride(2:1)

Database IDs

• CAS Number: 883886-67-7
• MDL Number: MFCD00012870
• PubChem SID: 180678781
• PubChem CID: 71607335

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5870519
• LogD (pH = 7.4): -1.1744462
• Log P: -1.0015815
• Molar Refractivity: 20.7725 cm^3
• Polarizability: 8.593669 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%