(Z)-N,N'-bis(propan-2-yl)(tert-butoxy)methanimidamide

• ChemBase ID: 294337
• Molecular Formular: C11H24N2O
• Molecular Mass: 200.32106
• Monoisotopic Mass: 200.1888634
• SMILES: CC(/N=C(\OC(C)(C)C)/NC(C)C)C
• Canonical SMILES: CC(N/C(=N/C(C)C)/OC(C)(C)C)C
• InChI: InChI=1S/C11H24N2O/c1-8(2)12-10(13-9(3)4)14-11(5,6)7/h8-9H,1-7H3,(H,12,13)
• InChIKey: FESDUDPSRMWIDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N,N'-bis(propan-2-yl)(tert-butoxy)methanimidamide
• IUPAC Traditional name: (Z)-N,N'-diisopropyltert-butoxymethanimidamide
• Synonyms: tert-Butyl N,N'-diisopropylcarbamimidate

Database IDs

• CAS Number: 71432-55-8
• PubChem SID: 180679868
• PubChem CID: 11041782

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.70367056
• LogD (pH = 7.4): 2.2236633
• Log P: 2.7277753
• Molar Refractivity: 60.3493 cm^3
• Polarizability: 23.544891 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%