N-Methylpyrrolidine - CAS 120-94-5

Catalog:	BB004999
Product Name:	N-Methylpyrrolidine
CAS:	120-94-5
Synonyms:	1-methylpyrrolidine

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Computed Properties

IUPAC Name:	1-methylpyrrolidine
Description:	N-Methylpyrrolidine (CAS# 120-94-5) is a useful research chemical.
Molecular Weight:	85.15
Molecular Formula:	C5H11N
Canonical SMILES:	CN1CCCC1
InChI:	InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChI Key:	AVFZOVWCLRSYKC-UHFFFAOYSA-N
Boiling Point:	80-81 °C
Melting Point:	-90 °C
Purity:	99 %
Density:	0.819 g/cm³
Appearance:	Clear colourless liquid
Storage:	Flammables area
MDL:	MFCD00003173
LogP:	0.64990
Vapor Pressure:	100.0 [mmHg]

Publication Number	Title	Priority Date
US-2016244447-A1	Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof	20150219
US-2015376835-A1	Esterified cellulose pulp compositions and related methods	20140630
US-2015376836-A1	Esterified cellulose pulp compositions and related methods	20140630
US-9222223-B1	Esterified cellulose pulp compositions and related methods	20140630
US-2015378089-A1	Backlight unit and liquid crystal display device	20140627

PMID	Publication Date	Title	Journal
22542016	20120601	Synthesis, reactive oxygen species generation and copper-mediated nuclease activity profiles of 2-aryl-3-amino-1,4-naphthoquinones	Bioorganic & medicinal chemistry letters
22396026	20120430	Identification of imine or enamine drug metabolites using online hydrogen/deuterium exchange and exact mass measurements	Rapid communications in mass spectrometry : RCM
21645643	20111201	Intraperitoneal photodynamic therapy mediated by a fullerene in a mouse model of abdominal dissemination of colon adenocarcinoma	Nanomedicine : nanotechnology, biology, and medicine
21703922	20110901	Synthesis, spectral and catalytic activity of some manganese(II) bis-benzimidazole diamide complexes	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22065010	20110901	9-Hy-droxy-4,8-dimethyl-12-(pyrrolidin-1-ylmeth-yl)-3,14-dioxatricyclo-[9.3.0.0]tetra-dec-7-en-13-one	Acta crystallographica. Section E, Structure reports online

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[1353995-46-6]
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[98435-76-8]
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[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	37.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	85.089149355
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	85.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	3.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9