methyl 2-[(2-ethylbutyl)amino]acetate

• ChemBase ID: 257200
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: C(=O)(OC)CNCC(CC)CC
• Canonical SMILES: CCC(CNCC(=O)OC)CC
• InChI: InChI=1S/C9H19NO2/c1-4-8(5-2)6-10-7-9(11)12-3/h8,10H,4-7H2,1-3H3
• InChIKey: OBINSAKTRJJQMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(2-ethylbutyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(2-ethylbutyl)amino]acetate
• Synonyms: methyl [(2-ethylbutyl)amino]acetate

Database IDs

• MDL Number: MFCD11099616
• PubChem SID: 164313110
• PubChem CID: 28431595

CALCULATED PROPERTIES

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1511484
• LogD (pH = 7.4): 1.4445418
• Log P: 1.5644394
• Molar Refractivity: 48.4933 cm^3
• Polarizability: 19.596916 Å^3
• Polar Surface Area: 38.33 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.108

Product Information

• Purity: 95%