Chemical Properties of N-Phenylpyrrolidine (CAS 4096-21-3)

InChI

InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2

InChI Key

VDQQJMHXZCMNMU-UHFFFAOYSA-N

Formula

C10H13N

SMILES

c1ccc(N2CCCC2)cc1

Molecular Weight¹

147.22

CAS

4096-21-3

Other Names

• 1-Phenylpyrrolidine
• Pyrrolidine, 1-phenyl-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	941.60	kJ/mol	NIST
BasG	915.10	kJ/mol	NIST
IE	[6.80; 7.23]	eV
IE	6.80	eV	NIST
IE	7.23 ± 0.06	eV	NIST
log10WS	-2.11		Crippen Calculated Property
logPoct/wat	2.287		Crippen Calculated Property
McVol	127.120	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to N-Phenylpyrrolidine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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