2-(2,5-Dimethylphenyl)pyrrolidine - CAS 367280-98-6

Catalog:	BB023051
Product Name:	2-(2,5-Dimethylphenyl)pyrrolidine
CAS:	367280-98-6
Synonyms:	2-(2,5-dimethylphenyl)pyrrolidine; 2-(2,5-dimethylphenyl)pyrrolidine

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Computed Properties

IUPAC Name:	2-(2,5-dimethylphenyl)pyrrolidine
Description:	2-(2,5-Dimethylphenyl)pyrrolidine (CAS# 367280-98-6) is a useful research chemical.
Molecular Weight:	175.27
Molecular Formula:	C12H17N
Canonical SMILES:	CC1=CC(=C(C=C1)C)C2CCCN2
InChI:	InChI=1S/C12H17N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChI Key:	YDFGECBUKLAMHF-UHFFFAOYSA-N
LogP:	3.05670

Publication Number	Title	Priority Date
WO-2020119206-A1	Radioactive iodine-labelled larotrectinib compound, preparation method therefor and use thereof	20181212
AU-2009246687-A1	Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors	20080513
AU-2009246687-B2	Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors	20080513
CA-2722418-A1	Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors	20080513
CA-2722418-C	Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors	20080513

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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:	167
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 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5