tert-butyl N-(2-aminohexyl)carbamate

• ChemBase ID: 237626
• Molecular Formular: C11H24N2O2
• Molecular Mass: 216.32046
• Monoisotopic Mass: 216.18377802
• SMILES: C(=O)(NCC(N)CCCC)OC(C)(C)C
• Canonical SMILES: CCCCC(CNC(=O)OC(C)(C)C)N
• InChI: InChI=1S/C11H24N2O2/c1-5-6-7-9(12)8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
• InChIKey: HDYLLORAJORZCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-aminohexyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-aminohexyl)carbamate
• Synonyms: tert-butyl N-(2-aminohexyl)carbamate

Database IDs

• MDL Number: MFCD22369981
• PubChem SID: 164293536
• PubChem CID: 71755967

CALCULATED PROPERTIES

• Acid pKa: 15.505524
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.082349
• LogD (pH = 7.4): -0.086434714
• Log P: 1.8978895
• Molar Refractivity: 60.8864 cm^3
• Polarizability: 24.417141 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.483

Product Information

• Purity: 95%