methyl 2-[2-(2-methoxy-2-oxoethyl)hydrazin-1-yl]acetate hydrochloride

• ChemBase ID: 71919
• Molecular Formular: C6H13ClN2O4
• Molecular Mass: 212.63142
• Monoisotopic Mass: 212.05638459
• SMILES: C(=O)(CNNCC(=O)OC)OC.Cl
• Canonical SMILES: COC(=O)CNNCC(=O)OC.Cl
• InChI: InChI=1S/C6H12N2O4.ClH/c1-11-5(9)3-7-8-4-6(10)12-2;/h7-8H,3-4H2,1-2H3;1H
• InChIKey: UWDBJZDTUZPTOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[2-(2-methoxy-2-oxoethyl)hydrazin-1-yl]acetate hydrochloride
• IUPAC Traditional name: methyl 2-[2-(2-methoxy-2-oxoethyl)hydrazin-1-yl]acetate hydrochloride
• Synonyms: Dimethyl 2,2'-hydrazine-1,2-diyldiacetate hydrochloride

Database IDs

• PubChem SID: 162104023
• PubChem CID: 71299956

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3388166
• LogD (pH = 7.4): -1.3386852
• Log P: -1.3386835
• Molar Refractivity: 60.9306 cm^3
• Polarizability: 16.300562 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT