tert-butyl(2-methanesulfonylethyl)amine

• ChemBase ID: 236465
• Molecular Formular: C7H17NO2S
• Molecular Mass: 179.28038
• Monoisotopic Mass: 179.09799979
• SMILES: S(=O)(=O)(CCNC(C)(C)C)C
• Canonical SMILES: CC(NCCS(=O)(=O)C)(C)C
• InChI: InChI=1S/C7H17NO2S/c1-7(2,3)8-5-6-11(4,9)10/h8H,5-6H2,1-4H3
• InChIKey: FSEDFFWXKHUOFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(2-methanesulfonylethyl)amine
• IUPAC Traditional name: tert-butyl(2-methanesulfonylethyl)amine
• Synonyms: tert-butyl(2-methanesulfonylethyl)amine

Database IDs

• MDL Number: MFCD12767548
• PubChem SID: 164292375
• PubChem CID: 60147188

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4409938
• LogD (pH = 7.4): -1.8959097
• Log P: -0.45922628
• Molar Refractivity: 46.5664 cm^3
• Polarizability: 19.331762 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): -0.1

Product Information

• Purity: 95%