3-(heptylamino)propanehydrazide

• ChemBase ID: 24352
• Molecular Formular: C10H23N3O
• Molecular Mass: 201.30912
• Monoisotopic Mass: 201.18411237
• SMILES: C(=O)(CCNCCCCCCC)NN
• Canonical SMILES: CCCCCCCNCCC(=O)NN
• InChI: InChI=1S/C10H23N3O/c1-2-3-4-5-6-8-12-9-7-10(14)13-11/h12H,2-9,11H2,1H3,(H,13,14)
• InChIKey: BXSUHSHMLIDOQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(heptylamino)propanehydrazide
• IUPAC Traditional name: 3-(heptylamino)propanehydrazide
• Synonyms: 3-(Heptylamino)propanohydrazide

Database IDs

• MDL Number: MFCD10687282
• PubChem SID: 160987659
• PubChem CID: 46736030

CALCULATED PROPERTIES

• Acid pKa: 13.261139
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.1377506
• LogD (pH = 7.4): -1.3362571
• Log P: 1.0763043
• Molar Refractivity: 59.4603 cm^3
• Polarizability: 23.3089 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false