(3-methoxypropyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 13511
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: C(c1ccncc1)NCCCOC
• Canonical SMILES: COCCCNCc1ccncc1
• InChI: InChI=1S/C10H16N2O/c1-13-8-2-5-12-9-10-3-6-11-7-4-10/h3-4,6-7,12H,2,5,8-9H2,1H3
• InChIKey: AKJLHLSGKCLQSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypropyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (3-methoxypropyl)(pyridin-4-ylmethyl)amine
• Synonyms: (3-methoxypropyl)(pyridin-4-ylmethyl)amine; (3-Methoxy-propyl)-pyridin-4-ylmethyl-amine

Database IDs

• MDL Number: MFCD03821899
• PubChem SID: 160976818
• PubChem CID: 3153474

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.82779
• LogD (pH = 7.4): -1.6431692
• Log P: 0.32690644
• Molar Refractivity: 53.058 cm^3
• Polarizability: 20.85384 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.502

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%