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

• ChemBase ID: 35182
• Molecular Formular: C9H19N3O
• Molecular Mass: 185.26666
• Monoisotopic Mass: 185.15281224
• SMILES: C(C(=O)NN)(CN1CCCCC1)C
• Canonical SMILES: NNC(=O)C(CN1CCCCC1)C
• InChI: InChI=1S/C9H19N3O/c1-8(9(13)11-10)7-12-5-3-2-4-6-12/h8H,2-7,10H2,1H3,(H,11,13)
• InChIKey: HGHRYICUFKUZKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 155219-10-6
• MDL Number: MFCD03452614
• PubChem SID: 160998489
• PubChem CID: 3734228

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2506409
• LogD (pH = 7.4): -2.2266104
• Log P: 0.1950996
• Molar Refractivity: 53.7949 cm^3
• Polarizability: 20.739687 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.312871

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.453

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%