dimethyl(2,2,3-trimethylbutyl)amine; perchloric acid

• ChemBase ID: 83519
• Molecular Formular: C9H22ClNO4
• Molecular Mass: 243.72828
• Monoisotopic Mass: 243.12373587
• SMILES: [Cl](=O)(=O)(=O)O.N(CC(C(C)C)(C)C)(C)C
• Canonical SMILES: O[Cl](=O)(=O)=O.CN(CC(C(C)C)(C)C)C
• InChI: InChI=1S/C9H21N.ClHO4/c1-8(2)9(3,4)7-10(5)6;2-1(3,4)5/h8H,7H2,1-6H3;(H,2,3,4,5)
• InChIKey: IBHQQEDBGURPME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2,2,3-trimethylbutyl)amine; perchloric acid
• IUPAC Traditional name: dimethyl(2,2,3-trimethylbutyl)amine; perchloric acid
• Synonyms: N,N-dimethyl-N-(2,2,3-trimethylbutyl)amine perchlorate

Database IDs

• MDL Number: MFCD00101453
• PubChem SID: 162070636
• PubChem CID: 2780436

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.89343107
• LogD (pH = 7.4): 0.17435056
• Log P: 2.5440612
• Molar Refractivity: 47.28 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true