2-Benzylpyrrolidine - CAS 35840-91-6

Catalog:	BB022766
Product Name:	2-Benzylpyrrolidine
CAS:	35840-91-6
Synonyms:	2-(phenylmethyl)pyrrolidine; 2-benzylpyrrolidine

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Computed Properties

IUPAC Name:	2-benzylpyrrolidine
Description:	2-Benzylpyrrolidine (CAS# 35840-91-6) is a useful research chemical.
Molecular Weight:	161.24
Molecular Formula:	C11H15N
Canonical SMILES:	C1CC(NC1)CC2=CC=CC=C2
InChI:	InChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,11-12H,4,7-9H2
InChI Key:	NKHMSOXIXROFRU-UHFFFAOYSA-N
Boiling Point:	247.3 °C at 760 mmHg
Purity:	95 %
Density:	0.988 g/cm³
LogP:	2.30990

Publication Number	Title	Priority Date
US-2021188827-A1	Atm kinase inhibitors and compositions and methods of use thereof	20191204
WO-2021113506-A1	Atm kinase inhibitors and compositions and methods of use thereof	20191204
WO-2020190119-A1	Heteroaryl derivative, method for producing same, and pharmaceutical composition comprising same as effective component	20190319
EP-3575287-A1	Inhibitors of n-acylphosphatidylethanolamine phospholipase d (nape-pld)	20180531
WO-2019229250-A1	Inhibitors of n-acylphosphatidylethanolamine phospholipase d (nape-pld)	20180531

PMID	Publication Date	Title	Journal
20397666	20100512	Intramolecular alkene aminopalladation reactions of (dppf)Pd(Ar)[N(Ar(1))(CH(2))(3)CH=CH(2)] complexes. insertion of unactivated alkenes into Pd-N bonds	Journal of the American Chemical Society
15686947	20050215	Discovery and structure-activity relationships of 2-benzylpyrrolidine-substituted aryloxypropanols as calcium-sensing receptor antagonists	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.120449483
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.120449483
Rotatable Bond Count:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3