2-(propan-2-yl)pyrrolidine hydrochloride

• ChemBase ID: 76075
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1C(C(C)C)CCC1.Cl
• Canonical SMILES: CC(C1CCCN1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)7-4-3-5-8-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: CDMWOCOXYGUROI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)pyrrolidine hydrochloride
• IUPAC Traditional name: 2-isopropylpyrrolidine hydrochloride
• Synonyms: 2-(propan-2-yl)pyrrolidine hydrochloride; 2-(Prop-2-yl)pyrrolidine hydrochloride; 2-Isopropylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD03840007
• PubChem SID: 162040993
• PubChem CID: 17389515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7245193
• LogD (pH = 7.4): -1.6860598
• Log P: 1.5169892
• Molar Refractivity: 35.6488 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.823

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%