N,N',N'-trimethyl(tert-butoxy)carbohydrazide

• ChemBase ID: 88411
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: N(N(C)C)(C)C(=O)OC(C)(C)C
• Canonical SMILES: CN(N(C(=O)OC(C)(C)C)C)C
• InChI: InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(6)9(4)5/h1-6H3
• InChIKey: IAUXDBLOXYFXKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N',N'-trimethyl(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N,N',N'-trimethyltert-butoxycarbohydrazide
• Synonyms: tert-Butyl 1,2,2-trimethylhydrazine-1-carboxylate; N,N,N'-Trimethylhydrazine, N'-BOC protected

Database IDs

• CAS Number: 232615-10-0
• PubChem SID: 162075369
• PubChem CID: 10559152

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7358407
• LogD (pH = 7.4): 0.7359318
• Log P: 0.735933
• Molar Refractivity: 47.8852 cm^3
• Polarizability: 18.804482 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3

PROPERTIES

Safety Information

• Storage Warning: Irritant