2,2-Dimethylpyrrolidine hydrochloride - CAS 623580-01-8

Catalog:	BB031550
Product Name:	2,2-Dimethylpyrrolidine hydrochloride
CAS:	623580-01-8
Synonyms:	2,2-dimethylpyrrolidine;hydrochloride; 2,2-dimethylpyrrolidine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2,2-dimethylpyrrolidine;hydrochloride
Description:	2,2-Dimethylpyrrolidine hydrochloride (CAS# 623580-01-8) is used in the preparation of bicyclic and spirocyclic compounds as KDM5 inhibitors.
Molecular Weight:	135.64
Molecular Formula:	C6H14ClN
Canonical SMILES:	CC1(CCCN1)C.Cl
InChI:	InChI=1S/C6H13N.ClH/c1-6(2)4-3-5-7-6;/h7H,3-5H2,1-2H3;1H
InChI Key:	MZQJSLYOHPXTJR-UHFFFAOYSA-N
Boiling Point:	156.3 °C at 760 mmHg
MDL:	MFCD09759233
LogP:	2.27920

Publication Number	Title	Priority Date
WO-2021132524-A1	Epoxy azepan derivative	20191225
WO-2021010492-A1	Compound having kdm5 inhibitory activity and pharmaceutical use thereof	20190717
WO-2019141096-A1	Substituted urea compound and preparation method and use thereof	20180119
BR-112019011626-A2	cystic fibrosis transmembrane conductance regulator modulator, pharmaceutical compositions, treatment methods and process for the production of the modulator	20161209
EP-3404021-A1	Voltage-dependent t-type calcium channel inhibitor	20160112

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GHS Hazard Statement:	H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	66.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.0814771
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	135.0814771
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0