3-(tert-butylamino)propanehydrazide

• ChemBase ID: 24337
• Molecular Formular: C7H17N3O
• Molecular Mass: 159.22938
• Monoisotopic Mass: 159.13716218
• SMILES: C(=O)(CCNC(C)(C)C)NN
• Canonical SMILES: NNC(=O)CCNC(C)(C)C
• InChI: InChI=1S/C7H17N3O/c1-7(2,3)9-5-4-6(11)10-8/h9H,4-5,8H2,1-3H3,(H,10,11)
• InChIKey: MNVDWSXWZIODSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(tert-butylamino)propanehydrazide
• IUPAC Traditional name: 3-(tert-butylamino)propanehydrazide
• Synonyms: 3-(tert-Butylamino)propanohydrazide

Database IDs

• MDL Number: MFCD10687273
• PubChem SID: 160987644
• PubChem CID: 28307017

CALCULATED PROPERTIES

• Acid pKa: 13.473529
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.7420936
• LogD (pH = 7.4): -2.9487293
• Log P: -0.52734107
• Molar Refractivity: 45.5893 cm^3
• Polarizability: 17.785816 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