2-tert-butylpyrrolidine hydrochloride

• ChemBase ID: 283957
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: N1C(C(C)(C)C)CCC1.Cl
• Canonical SMILES: CC(C1CCCN1)(C)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-8(2,3)7-5-4-6-9-7;/h7,9H,4-6H2,1-3H3;1H
• InChIKey: AAOKNWIGPRCWII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylpyrrolidine hydrochloride
• IUPAC Traditional name: 2-tert-butylpyrrolidine hydrochloride
• Synonyms: 2-tert-butylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD07357529
• PubChem SID: 180669488
• PubChem CID: 17389538

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3463552
• LogD (pH = 7.4): -1.2963507
• Log P: 1.8949901
• Molar Refractivity: 40.0469 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.222

Product Information

• Purity: 95%