bis(oxolan-2-ylmethyl)amine

• ChemBase ID: 258684
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: O1C(CNCC2OCCC2)CCC1
• Canonical SMILES: C1COC(C1)CNCC1CCCO1
• InChI: InChI=1S/C10H19NO2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h9-11H,1-8H2
• InChIKey: WLEPBZLOVVHVIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: bis(oxolan-2-ylmethyl)amine
• Synonyms: bis(oxolan-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD00022475
• PubChem SID: 164314594
• PubChem CID: 219311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.523745
• LogD (pH = 7.4): -1.4037912
• Log P: 0.64429957
• Molar Refractivity: 51.2028 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.92

Product Information

• Purity: 95%