structure of N-Nitrosopiperidine

N-Nitrosopiperidine

CAS No.: 100-75-4
M. Wt: 114.146
M. Fa: C5H10N2O
InChI Key: UWSDONTXWQOZFN-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of N-Nitrosopiperidine

CAS Number

100-75-4

EC Number

202-886-6

IUPAC Name

1-nitrosopiperidine

InChI

InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2

InChIKey

UWSDONTXWQOZFN-UHFFFAOYSA-N

Canonical SMILES

C1CCN(CC1)N=O

UNII

6N066XUL4L

Physical and chemical properties of N-Nitrosopiperidine

Acidity coefficient

-3.18±0.20(Predicted)

Boiling Point

423 °F at 721 mmHg

carcinogen classification

2B (Vol. 17, Sup 7) 1987

Decomposition

When heated to decomposition it emits toxic fumes of ... /nitrogen oxides/.

Density

1.0631 at 65.3 °F

Exact Mass

114.079315

Flash Point

92.8±18.7 °C

Index of Refraction

Index of refraction: 1.4933 at 18 °C/D

LogP

log Kow = 0.36

Melting Point

170℃ (decomposition)

Molecular Formula

C5H10N2O

Molecular Weight

114.146

PSA

32.67000

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Storage condition

2-8°C

Vapour Pressure

9.20X10-2 mm Hg at 20 °C

Water Solubility

76.48g/L(24 ºC)

Safety Information of N-Nitrosopiperidine

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of N-Nitrosopiperidine

Interaction studies involving N-Nitrosopiperidine have highlighted its unique metabolic pathways compared to similar compounds. For instance, it has been shown that rat liver microsomes metabolize N-Nitrosopiperidine more efficiently than its structural analogs like N-Nitrosopyrrolidine. This differential metabolism suggests that specific cytochrome P450 enzymes play a significant role in its activation and subsequent biological effects .

Biological Activity of N-Nitrosopiperidine

N-Nitrosopiperidine is recognized as a potent esophageal carcinogen in animal studies, particularly in rats. Its mechanism of action involves metabolic activation leading to DNA damage. The compound's carcinogenic activity is attributed to its ability to form reactive intermediates that can interact with cellular macromolecules . Research indicates that it activates specific cytochrome P450 enzymes which are crucial in its metabolic pathway .

Retrosynthesis analysis of N-Nitrosopiperidine

  • Route#1

    Cas:70570-05-7
    Cas:100-75-4

  • Route#2

    Cas:2213-43-6
    Cas:509-14-8
    Cas:100-75-4

  • Route#3

    Cas:626-67-5
    Cas:100-75-4