2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide - CAS 702-96-5

Catalog:	BB034124
Product Name:	2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide
CAS:	702-96-5
Synonyms:	2,2,5,5-tetramethylpyrrolidine-3-carboxamide

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Computed Properties

IUPAC Name:	2,2,5,5-tetramethylpyrrolidine-3-carboxamide
Description:	2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide (CAS# 702-96-5) is a compound useful in organic synthesis.
Molecular Weight:	170.25
Molecular Formula:	C9H18N2O
Canonical SMILES:	CC1(CC(C(N1)(C)C)C(=O)N)C
InChI:	InChI=1S/C9H18N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h6,11H,5H2,1-4H3,(H2,10,12)
InChI Key:	POAGFQOGFRYOFM-UHFFFAOYSA-N
Boiling Point:	289.5 °C at 760 mmHg
Melting Point:	128-131 °C (lit.)
Purity:	95 %
Appearance:	Off-white solid
MDL:	MFCD00014492
LogP:	1.66750

Publication Number	Title	Priority Date
US-2021061957-A1	Multifunctional nitroxide-mediated polymerization initiators and multi-armed polymers and hydrogels formed therefrom	20190828
WO-2021041227-A1	Multifunctional nitroxide-mediated polymerization initiators and products formed therefrom	20190828
EP-3273956-A1	Nitroxide radicals for the treatment of diseases of the respiratory tract	20150326
WO-2016151591-A1	Nitroxide radicals for the treatment of diseases of the respiratory tract	20150326
CN-105073757-B	Dyeing process using a hair-dyeing precursor obtained from an iridoid, composition, precursor and device comprising such a precursor	20130329

PMID	Publication Date	Title	Journal
16521085	20060505	Solid-state ESR differentiation between racemate versus enantiomer	Chirality

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Related Functional Groups

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tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1228070-72-1]
(Racemic trans)-1-tert-butyl 3-methyl 4-(2-Chloro-5-methylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate
[98435-76-8]
1-Ethyl-L-proline
[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.141913202
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.141913202
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0