3-(cyclohexylamino)propanehydrazide

• ChemBase ID: 24372
• Molecular Formular: C9H19N3O
• Molecular Mass: 185.26666
• Monoisotopic Mass: 185.15281224
• SMILES: C(=O)(CCNC1CCCCC1)NN
• Canonical SMILES: NNC(=O)CCNC1CCCCC1
• InChI: InChI=1S/C9H19N3O/c10-12-9(13)6-7-11-8-4-2-1-3-5-8/h8,11H,1-7,10H2,(H,12,13)
• InChIKey: RIIKNPXSRPYMLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexylamino)propanehydrazide
• IUPAC Traditional name: 3-(cyclohexylamino)propanehydrazide
• Synonyms: 3-(Cyclohexylamino)propanohydrazide

Database IDs

• MDL Number: MFCD10687293
• PubChem SID: 160987679
• PubChem CID: 28307063

CALCULATED PROPERTIES

• Acid pKa: 13.354557
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.006607
• LogD (pH = 7.4): -2.3497386
• Log P: 0.2179698
• Molar Refractivity: 52.7979 cm^3
• Polarizability: 20.739687 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false