2-(pyrrolidin-1-yl)acetohydrazide hydrochloride

• ChemBase ID: 55055
• Molecular Formular: C6H14ClN3O
• Molecular Mass: 179.64786
• Monoisotopic Mass: 179.08253976
• SMILES: NNC(=O)CN1CCCC1.Cl
• Canonical SMILES: NNC(=O)CN1CCCC1.Cl
• InChI: InChI=1S/C6H13N3O.ClH/c7-8-6(10)5-9-3-1-2-4-9;/h1-5,7H2,(H,8,10);1H
• InChIKey: FMEYGLQPEBCHSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)acetohydrazide hydrochloride
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)acetohydrazide hydrochloride
• Synonyms: 2-Pyrrolidin-1-ylacetohydrazide hydrochloride

Database IDs

• CAS Number: 7171-96-2
• MDL Number: MFCD18205907
• PubChem SID: 162059818
• PubChem CID: 54759135

CALCULATED PROPERTIES

• Acid pKa: 12.992663
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5989592
• LogD (pH = 7.4): -1.8265319
• Log P: -1.029468
• Molar Refractivity: 39.92 cm^3
• Polarizability: 15.226019 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false