4-(pyrrolidin-1-yl)aniline hydrochloride

• ChemBase ID: 237611
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: N1(c2ccc(N)cc2)CCCC1.Cl
• Canonical SMILES: Nc1ccc(cc1)N1CCCC1.Cl
• InChI: InChI=1S/C10H14N2.ClH/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;/h3-6H,1-2,7-8,11H2;1H
• InChIKey: CKZKSFMNJXRVNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-1-yl)aniline hydrochloride
• IUPAC Traditional name: 4-(pyrrolidin-1-yl)aniline hydrochloride
• Synonyms: 4-pyrrolidin-1-ylaniline hydrochloride

Database IDs

• CAS Number: 2632-65-7
• MDL Number: MFCD07700915
• PubChem SID: 164293521
• PubChem CID: 16248265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.26708993
• LogD (pH = 7.4): 1.5420088
• Log P: 1.6581612
• Molar Refractivity: 52.728 cm^3
• Polarizability: 19.257498 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262 - 264°C
• Hydrophobicity(logP): 1.714

Product Information

• Purity: 95%
• Salt Data: HCl