2-(2,6-Dimethylphenyl)pyrrolidine - CAS 899365-72-1

Catalog:	BB039692
Product Name:	2-(2,6-Dimethylphenyl)pyrrolidine
CAS:	899365-72-1
Synonyms:	2-(2,6-dimethylphenyl)pyrrolidine; 2-(2,6-dimethylphenyl)pyrrolidine

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Computed Properties

IUPAC Name:	2-(2,6-dimethylphenyl)pyrrolidine
Description:	2-(2,6-Dimethylphenyl)pyrrolidine (CAS# 899365-72-1) is a useful research chemical.
Molecular Weight:	175.27
Molecular Formula:	C12H17N
Canonical SMILES:	CC1=C(C(=CC=C1)C)C2CCCN2
InChI:	InChI=1S/C12H17N/c1-9-5-3-6-10(2)12(9)11-7-4-8-13-11/h3,5-6,11,13H,4,7-8H2,1-2H3
InChI Key:	XDBWPROXDXLPDU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2019210828-A1	Bcl-2 INHIBITORS	20180429
AU-2019264475-A1	Bcl-2 inhibitors	20180429
BR-112020022092-A2	compounds, method for treating unregulated apoptotic diseases and pharmaceutical composition	20180429
CN-112437772-A	Bcl-2 inhibitors	20180429
EP-3788042-A1	Bcl-2 inhibitors	20180429

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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:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.136099547
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.136099547
Rotatable Bond Count:	1
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5