(2-tert-butyloxolan-3-yl)methanamine

• ChemBase ID: 276137
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(C(C)(C)C)OCCC1CN
• Canonical SMILES: NCC1CCOC1C(C)(C)C
• InChI: InChI=1S/C9H19NO/c1-9(2,3)8-7(6-10)4-5-11-8/h7-8H,4-6,10H2,1-3H3
• InChIKey: JIPFBCZZZJBRER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382051
• PubChem SID: 164332047
• PubChem CID: 54594023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9471382
• LogD (pH = 7.4): -1.4867977
• Log P: 1.0753871
• Molar Refractivity: 46.325 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.497

Product Information

• Purity: 95%