2-(pyrrolidin-1-yl)aniline

• ChemBase ID: 14730
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1(c2c(cccc2)N)CCCC1
• Canonical SMILES: Nc1ccccc1N1CCCC1
• InChI: InChI=1S/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2
• InChIKey: BFPUBGCFJMIZDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)aniline
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)aniline
• Synonyms: 2-pyrrolidin-1-ylaniline; 2-Pyrrolidin-1-yl-phenylamine; (2-pyrrolidin-1-ylphenyl)amine; 2-Pyrrolidin-1-ylaniline 97%; 2-(pyrrolidin-1-yl)aniline

Database IDs

• CAS Number: 21627-58-7
• MDL Number: MFCD03563756
• PubChem SID: 160978037
• PubChem CID: 937501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5686939
• LogD (pH = 7.4): 1.6569117
• Log P: 1.6581612
• Molar Refractivity: 52.728 cm^3
• Polarizability: 19.259169 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%