4-methoxybutan-2-amine

• ChemBase ID: 267340
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NC(CCOC)C
• Canonical SMILES: COCCC(N)C
• InChI: InChI=1S/C5H13NO/c1-5(6)3-4-7-2/h5H,3-4,6H2,1-2H3
• InChIKey: GASMMXGMCKCSJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybutan-2-amine
• IUPAC Traditional name: 4-methoxybutan-2-amine
• Synonyms: 4-methoxybutan-2-amine

Database IDs

• MDL Number: MFCD08452870
• PubChem SID: 164323250
• PubChem CID: 17856440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2226436
• LogD (pH = 7.4): -2.8919609
• Log P: -0.1958996
• Molar Refractivity: 30.2465 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.104

Product Information

• Purity: 95%