(oxolan-2-ylmethyl)(prop-2-yn-1-yl)amine

• ChemBase ID: 270306
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: C(#C)CNCC1OCCC1
• Canonical SMILES: C#CCNCC1CCCO1
• InChI: InChI=1S/C8H13NO/c1-2-5-9-7-8-4-3-6-10-8/h1,8-9H,3-7H2
• InChIKey: RAWCMNQMRODOIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)(prop-2-yn-1-yl)amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)(prop-2-yn-1-yl)amine
• Synonyms: (oxolan-2-ylmethyl)(prop-2-yn-1-yl)amine

Database IDs

• MDL Number: MFCD07411962
• PubChem SID: 164326216
• PubChem CID: 4724208

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4657276
• LogD (pH = 7.4): -0.86210465
• Log P: 0.45379362
• Molar Refractivity: 40.5283 cm^3
• Polarizability: 15.856076 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.801

Product Information

• Purity: 95%