1-(propan-2-yl)pyrrolidin-3-amine hydrochloride

• ChemBase ID: 815463
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: Cl.N1(CC(CC1)N)C(C)C
• Canonical SMILES: NC1CCN(C1)C(C)C.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-6(2)9-4-3-7(8)5-9;/h6-7H,3-5,8H2,1-2H3;1H
• InChIKey: ANHGVPQGBGBPFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)pyrrolidin-3-amine hydrochloride
• IUPAC Traditional name: 1-isopropylpyrrolidin-3-amine hydrochloride
• Synonyms: 1-isopropylpyrrolidin-3-amine hydrochloride

Database IDs

• CAS Number: 19985-09-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.951802
• LogD (pH = 7.4): -2.795723
• Log P: 0.1147705
• Molar Refractivity: 39.6719 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%