1- Nitrosopyrrolidin- 2- one - CAS 54634-49-0

Name: 1- Nitrosopyrrolidin- 2- one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB056680
Product Name:	1- Nitrosopyrrolidin- 2- one
CAS:	54634-49-0
Synonyms:	1-Nitroso-2-pyrrolidinone; 1-Nitroso-2-pyrrolidone; N-Nitroso-2-pyrrolidinone

Technical Data

IUPAC Name:	1-nitrosopyrrolidin-2-one
Description:	1-тАЛNitrosopyrrolidin-тАЛ2-тАЛone is an analyte in the study of capillary electrophoresis and also a nitrosamide precursor present in tobacco and food.
Molecular Weight:	114.1
Molecular Formula:	C4H6N2O2
Canonical SMILES:	C1CC(=O)N(C1)N=O
InChI:	InChI=1S/C4H6N2O2/c7-4-2-1-3-6(4)5-8/h1-3H2
InChI Key:	KLZYCEYOOVIITI-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Light Yellow to Dark Yellow Oil
Storage:	4°C, Inert atmosphere, Light sensitive
References:	Mende, P. et al. Carcinogen., 15, 733 (1994); Delgado, C. et al. Spectra. Anal., 23, 42 (1994).

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.042927438
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.042927438
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4