tert-butyl N-(4-aminobutan-2-yl)-N-methylcarbamate

• ChemBase ID: 273598
• Molecular Formular: C10H22N2O2
• Molecular Mass: 202.29388
• Monoisotopic Mass: 202.16812795
• SMILES: C(=O)(N(C(CCN)C)C)OC(C)(C)C
• Canonical SMILES: NCCC(N(C(=O)OC(C)(C)C)C)C
• InChI: InChI=1S/C10H22N2O2/c1-8(6-7-11)12(5)9(13)14-10(2,3)4/h8H,6-7,11H2,1-5H3
• InChIKey: XFKPVODVJHKDHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(4-aminobutan-2-yl)-N-methylcarbamate
• IUPAC Traditional name: tert-butyl N-(4-aminobutan-2-yl)-N-methylcarbamate
• Synonyms: tert-butyl N-(4-aminobutan-2-yl)-N-methylcarbamate

Database IDs

• MDL Number: MFCD18296500
• PubChem SID: 164329508
• PubChem CID: 54592883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2382023
• LogD (pH = 7.4): -1.5076846
• Log P: 0.7698655
• Molar Refractivity: 56.9225 cm^3
• Polarizability: 22.577517 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.853

Product Information

• Purity: 95%