1-(1-chloropropan-2-yl)pyrrolidine

• ChemBase ID: 308636
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: N1(C(CCl)C)CCCC1
• Canonical SMILES: ClCC(N1CCCC1)C
• InChI: InChI=1S/C7H14ClN/c1-7(6-8)9-4-2-3-5-9/h7H,2-6H2,1H3
• InChIKey: YZSFPUQIKOUVRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-chloropropan-2-yl)pyrrolidine
• IUPAC Traditional name: 1-(1-chloropropan-2-yl)pyrrolidine
• Synonyms: 1-(2-chloro-1-methylethyl)pyrrolidine

Database IDs

• CAS Number: 58414-76-9
• MDL Number: MFCD11505308

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4413961
• LogD (pH = 7.4): 0.21551666
• Log P: 1.6770318
• Molar Refractivity: 41.2912 cm^3
• Polarizability: 16.235744 Å^3
• Polar Surface Area: 3.24 Å^2