3-[(2-methoxyethyl)amino]propanehydrazide

• ChemBase ID: 24407
• Molecular Formular: C6H15N3O2
• Molecular Mass: 161.2022
• Monoisotopic Mass: 161.11642674
• SMILES: C(=O)(CCNCCOC)NN
• Canonical SMILES: COCCNCCC(=O)NN
• InChI: InChI=1S/C6H15N3O2/c1-11-5-4-8-3-2-6(10)9-7/h8H,2-5,7H2,1H3,(H,9,10)
• InChIKey: XPCHVQCGKAUZNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methoxyethyl)amino]propanehydrazide
• IUPAC Traditional name: 3-[(2-methoxyethyl)amino]propanehydrazide
• Synonyms: 3-[(2-Methoxyethyl)amino]propanohydrazide

Database IDs

• MDL Number: MFCD10687309
• PubChem SID: 160987714
• PubChem CID: 28307095

CALCULATED PROPERTIES

• Acid pKa: 13.12366
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.701359
• LogD (pH = 7.4): -3.2834387
• Log P: -1.6282762
• Molar Refractivity: 42.8272 cm^3
• Polarizability: 16.667463 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false