2-(4-Isopropylphenyl)pyrrolidine - CAS 881040-01-3

Catalog:	BB038736
Product Name:	2-(4-Isopropylphenyl)pyrrolidine
CAS:	881040-01-3
Synonyms:	2-(4-propan-2-ylphenyl)pyrrolidine; 2-(4-propan-2-ylphenyl)pyrrolidine

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Computed Properties

IUPAC Name:	2-(4-propan-2-ylphenyl)pyrrolidine
Description:	2-(4-Isopropylphenyl)pyrrolidine (CAS# 881040-01-3) is a useful research chemical.
Molecular Weight:	189.30
Molecular Formula:	C13H19N
Canonical SMILES:	CC(C)C1=CC=C(C=C1)C2CCCN2
InChI:	InChI=1S/C13H19N/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3
InChI Key:	ZYXHXFDDXNHWHZ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2015299149-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-10689383-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-2017327503-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
EP-3299365-A1	Piperidinyl-indole derivatives complement factor b inhibitors and uses thereof	20130715
US-2015216168-A1	Use of substituted 2-amidobenzimidazoles, 2-amidobenzoxazoles and 2-amidobenzothiazoles or salts thereof as active substances against abiotic plant stress	20120905

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.15174961
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.15174961
Rotatable Bond Count:	2
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9