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2-(4-Chlorophenyl)-2-(1-pyrrolidinyl)ethylamine

2-(4-Chlorophenyl)-2-(1-pyrrolidinyl)ethylamine - CAS 915923-59-0

Catalog:	BB040268
Product Name:	2-(4-Chlorophenyl)-2-(1-pyrrolidinyl)ethylamine
CAS:	915923-59-0
Synonyms:	2-(4-chlorophenyl)-2-(1-pyrrolidinyl)ethanamine; 2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine
Description:	2-(4-Chlorophenyl)-2-(1-pyrrolidinyl)ethylamine (CAS# 915923-59-0) is a useful research chemical.
Molecular Weight:	224.73
Molecular Formula:	C12H17ClN2
Canonical SMILES:	C1CCN(C1)C(CN)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H17ClN2/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,12H,1-2,7-9,14H2
InChI Key:	UZOHZMOJLIOLON-UHFFFAOYSA-N
Boiling Point:	320.7 °C at 760 mmHg
Density:	1.176 g/cm³
LogP:	3.07380

Publication Number	Title	Priority Date
AU-2013328586-A1	N-(2-(cyclic amine)ethyl)benzamide derivatives as P2x7 inhibitors	20121012
AU-2013328586-B2	N-(2-(cyclic amine)ethyl)benzamide derivatives as P2x7 inhibitors	20121012
EP-2906549-A2	Cyclic amines	20121012
EP-2906549-B1	N-(2-(cyclic amine)ethyl)benzamide derivatives as p2x7 inhibitors	20121012
EP-3536689-A1	2-(cyclic amineethyl)benzamide derivatives as p2x7 inhibitors	20121012

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.1080262
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.1080262
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2