2-[ethyl(methyl)amino]acetohydrazide hydrochloride

• ChemBase ID: 55057
• Molecular Formular: C5H14ClN3O
• Molecular Mass: 167.63716
• Monoisotopic Mass: 167.08253976
• SMILES: CCN(C)CC(=O)NN.Cl
• Canonical SMILES: CN(CC)CC(=O)NN.Cl
• InChI: InChI=1S/C5H13N3O.ClH/c1-3-8(2)4-5(9)7-6;/h3-4,6H2,1-2H3,(H,7,9);1H
• InChIKey: SDLFWJYDSLVYIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(methyl)amino]acetohydrazide hydrochloride
• IUPAC Traditional name: 2-[ethyl(methyl)amino]acetohydrazide hydrochloride
• Synonyms: 2-[Ethyl(methyl)amino]acetohydrazide hydrochloride

Database IDs

• CAS Number: 1203264-31-6
• MDL Number: MFCD18205903
• PubChem SID: 162059820
• PubChem CID: 54758986

CALCULATED PROPERTIES

• Acid pKa: 13.184475
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2567384
• LogD (pH = 7.4): -1.552355
• Log P: -1.0784576
• Molar Refractivity: 37.1276 cm^3
• Polarizability: 14.110443 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false