2-methyl-3-(pyrrolidin-1-yl)propanehydrazide

• ChemBase ID: 236380
• Molecular Formular: C8H17N3O
• Molecular Mass: 171.24008
• Monoisotopic Mass: 171.13716218
• SMILES: C(C(=O)NN)(CN1CCCC1)C
• Canonical SMILES: NNC(=O)C(CN1CCCC1)C
• InChI: InChI=1S/C8H17N3O/c1-7(8(12)10-9)6-11-4-2-3-5-11/h7H,2-6,9H2,1H3,(H,10,12)
• InChIKey: UVZPWAYMBVPOGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(pyrrolidin-1-yl)propanehydrazide
• IUPAC Traditional name: 2-methyl-3-(pyrrolidin-1-yl)propanehydrazide
• Synonyms: 2-methyl-3-pyrrolidin-1-ylpropanohydrazide

Database IDs

• MDL Number: MFCD00464240
• PubChem SID: 164292290
• PubChem CID: 4599213

CALCULATED PROPERTIES

• Acid pKa: 13.265709
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7099342
• LogD (pH = 7.4): -2.7960045
• Log P: -0.24946906
• Molar Refractivity: 49.1939 cm^3
• Polarizability: 18.90024 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -°C
• Hydrophobicity(logP): -0.106

Product Information

• Purity: 95%