(butan-2-yl)(2-methoxyethyl)amine

• ChemBase ID: 259146
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: N(C(CC)C)CCOC
• Canonical SMILES: COCCNC(CC)C
• InChI: InChI=1S/C7H17NO/c1-4-7(2)8-5-6-9-3/h7-8H,4-6H2,1-3H3
• InChIKey: BXFXGWKIOJCARL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yl)(2-methoxyethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(sec-butyl)amine
• Synonyms: butan-2-yl(2-methoxyethyl)amine

Database IDs

• MDL Number: MFCD11139446
• PubChem SID: 164315056
• PubChem CID: 43190188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1621585
• LogD (pH = 7.4): -1.448345
• Log P: 1.0560514
• Molar Refractivity: 39.4283 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.999

Product Information

• Purity: 95%