2-Phenylpyrrolidine - CAS 1006-64-0

Catalog:	BB000289
Product Name:	2-Phenylpyrrolidine
CAS:	1006-64-0
Synonyms:	2-phenylpyrrolidine; 2-phenylpyrrolidine

Technical Data

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Computed Properties

IUPAC Name:	2-phenylpyrrolidine
Description:	2-Phenylpyrrolidine (CAS# 1006-64-0) is a useful research chemical.
Molecular Weight:	147.22
Molecular Formula:	C10H13N
Canonical SMILES:	C1CC(NC1)C2=CC=CC=C2
InChI:	InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2
InChI Key:	JUTDHSGANMHVIC-UHFFFAOYSA-N
Boiling Point:	237 °C at 760 mmHg
Density:	0.988 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD01631835
LogP:	2.43990

Publication Number	Title	Priority Date
CN-113200912-A	Method for synthesizing cyanamide	20210413
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
WO-2021133817-A1	1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases	20191227
WO-2021072238-A1	Feeder-based and feeder-free stem cell culture systems for stratified epithelial stem cells, and uses related thereto	20191010
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607

PMID	Publication Date	Title	Journal
21766831	20110819	Highly effective asymmetric hydrogenation of cyclic N-alkyl imines with chiral cationic Ru-MsDPEN catalysts	Organic letters
19827296	20090901	[Regioselectivity in the dehydrogenation of substituted ethylenediamines as nicotine models]	Die Pharmazie
19193006	20090225	A spectroscopic study of nicotine analogue 2-phenylpyrrolidine (PPD) using resonant two-photon ionization (R2PI), microwave, and 2D NMR techniques	Journal of the American Chemical Society
15988716	20050101	Determination of the natural abundance delta15N of nicotine and related alkaloids by gas chromatography/isotope ratio mass spectrometry	Rapid communications in mass spectrometry : RCM
15178859	20040601	1,2,5-Substituted derivatives of 2-phenylpyrrolidine	Acta crystallographica. Section C, Crystal structure communications

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.104799419
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8