N-Nitrosopyrrolidine

C₄H₈N₂OCAS 930-55-2100.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈N₂O
Molar mass: 100.12 g/mol
Exact mass: 100.0637 Da
Density: 1.1 g/mL
Boiling point: 214 °C
Flash point: 82.8 °C
Water solubility: miscible
logP: 0.76Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed98.4% of notifiers
H312 Harmful in contact with skin20.3% of notifiers
H332 Harmful if inhaled20.3% of notifiers
H341 Suspected of causing genetic defects20.3% of notifiers
H350 May cause cancer25% of notifiers
H351 Suspected of causing cancer73.4% of notifiers

Aggregated from 64 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

930-55-2

SMILES

O=NN1CCCC1

InChIKey

WNYADZVDBIBLJJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

Pyrrolidine, 1-nitroso-
1-Nitrosopyrrolidine
NSC 18797
NPYR

Work with N-Nitrosopyrrolidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Nitrosopiperidine100-75-493 % similar N-Nitrosodibutylamine924-16-365 % similar N-Nitrosodiethanolamine1116-54-755 % similar N-Nitrosodipropylamine621-64-755 % similar Dinitrosopentamethylenetetramine101-25-745 % similar N-Nitrosodiethylamine55-18-545 % similar 2,2'-(Nitrosoimino)bis(acetonitrile)16339-18-739 % similar N-Nitrosodimethylamine62-75-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tetrahydro-2(1H)-pyrimidinone1852-17-1 N'-Hydroxycyclopropanecarboximidamide51285-13-3 Allylurea557-11-9 Piperazinone5625-67-2 Cyclopropanecarbohydrazide6952-93-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook