1-Methylpyrrolidine

Catalog:	BB076064
Product Name:	1-Methylpyrrolidine
Synonyms:	N-Methylpyrrolidine; N-Methyltetrahydropyrrole; NSC 65579

Technical Data

Safety and Hazards

Computed Properties

Related CAS:	120-94-5
IUPAC Name:	1-methylpyrrolidine
Description:	A methylated pyrollidine which is an essential part of the structure of Cefipime (C242750) often analyzed via ion chromatography. A cigarette smoke constitutent.
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
Solubility:	Chloroform (Slightly), Methanol (Sparingly)
Appearance:	Colourless Oil
Storage:	4°C
References:	Prasanna, S.J. et al. J. Chrom. Sci., 48, 830 (2010); Adam, T. et al. Anal. Chim. Acta, 657, 36 (2010).

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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, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, 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:	3.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9