tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate

• ChemBase ID: 274442
• Molecular Formular: C9H20N2O2
• Molecular Mass: 188.2673
• Monoisotopic Mass: 188.15247789
• SMILES: C(=O)(OC(C)(C)C)N(CCNC)C
• Canonical SMILES: CNCCN(C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3
• InChIKey: DFVRUHANEXOZGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
• Synonyms: tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate; tert-butyl methyl[2-(methylamino)ethyl]carbamate

Database IDs

• CAS Number: 112257-19-9
• MDL Number: MFCD09953267
• PubChem SID: 164330352
• PubChem CID: 14403871

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4544642
• LogD (pH = 7.4): -1.4010946
• Log P: 0.7259112
• Molar Refractivity: 52.4129 cm^3
• Polarizability: 20.739033 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.529

Product Information

• Purity: 95%