3-(pyrrolidin-1-yl)propanehydrazide

• ChemBase ID: 24354
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C(=O)(CCN1CCCC1)NN
• Canonical SMILES: NNC(=O)CCN1CCCC1
• InChI: InChI=1S/C7H15N3O/c8-9-7(11)3-6-10-4-1-2-5-10/h1-6,8H2,(H,9,11)
• InChIKey: LLKCXARUQTWKAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-1-yl)propanehydrazide
• IUPAC Traditional name: 3-(pyrrolidin-1-yl)propanehydrazide
• Synonyms: 3-pyrrolidin-1-ylpropanohydrazide; 3-(1-Pyrrolidinyl)propanohydrazide

Database IDs

• CAS Number: 59737-32-5
• MDL Number: MFCD01839708
• PubChem SID: 160987661
• PubChem CID: 3686649

CALCULATED PROPERTIES

• Acid pKa: 13.249876
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2171597
• LogD (pH = 7.4): -3.077335
• Log P: -0.7924553
• Molar Refractivity: 44.6194 cm^3
• Polarizability: 17.062204 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): -0.415

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%