3-Phenylpyrrolidine - CAS 936-44-7

Catalog:	BB041003
Product Name:	3-Phenylpyrrolidine
CAS:	936-44-7
Synonyms:	3-phenylpyrrolidine; 3-phenylpyrrolidine

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Computed Properties

IUPAC Name:	3-phenylpyrrolidine
Description:	3-Phenylpyrrolidine (CAS# 936-44-7) is a useful research chemical.
Molecular Weight:	147.22
Molecular Formula:	C10H13N
Canonical SMILES:	C1CNCC1C2=CC=CC=C2
InChI:	InChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2
InChI Key:	PRRFFTYUBPGHLE-UHFFFAOYSA-N
Boiling Point:	243.4 °C at 760 mmHg
Density:	0.988 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	2.09230

Publication Number	Title	Priority Date
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2021113686-A1	Masp-2 inhibitors and methods of use	20191204
EP-3821947-A1	Heterocyclic trpml1 agonists	20191113
WO-2021094974-A1	Heterocyclic trpml1 agonists	20191113

PMID	Publication Date	Title	Journal
15081025	20040503	Structural determinants for high 5-HT(2A) receptor affinity of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine (SpAMDA)	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, 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:	1.7