(2-butoxypyridin-3-yl)methanamine

• ChemBase ID: 264151
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: c1(c(CN)cccn1)OCCCC
• Canonical SMILES: CCCCOc1ncccc1CN
• InChI: InChI=1S/C10H16N2O/c1-2-3-7-13-10-9(8-11)5-4-6-12-10/h4-6H,2-3,7-8,11H2,1H3
• InChIKey: QZQRWGJWYNZAQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-butoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (2-butoxypyridin-3-yl)methanamine
• Synonyms: (2-butoxypyridin-3-yl)methanamine

Database IDs

• MDL Number: MFCD11625319
• PubChem SID: 164320061
• PubChem CID: 43267454

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1357383
• LogD (pH = 7.4): 0.39480254
• Log P: 1.6420271
• Molar Refractivity: 53.0248 cm^3
• Polarizability: 20.841827 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.004

Product Information

• Purity: 95%