N-Nitrosopiperidine
Properties
- Molecular formula
- C5H10N2O
- Molar mass
- 114.15 g/mol
- Exact mass
- 114.0793 Da
- Density
- 1.0631 g/mL (at 18.5 °C)
- Melting point
- 170 °C (decomposes)
- Boiling point
- 219 °C
- Water solubility
- 10–50 g/L (22.2 °C)
- logP
- 1.15Crippen estimate
- Polar surface area
- 32.7 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed98% of notifiers
- H351 Suspected of causing cancer92.2% of notifiers
Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501
Identifiers
CAS number
100-75-4SMILES
O=NN1CCCCC1InChIKey
UWSDONTXWQOZFN-UHFFFAOYSA-NInChI
InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Piperidine, 1-nitroso-
- 1-Nitrosopiperidine
- NSC 138
- NPIP
- NPI
Work with N-Nitrosopiperidine
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-Nitrosopyrrolidine930-55-293 % similar
N-Nitrosodibutylamine924-16-362 % similar
N-Nitrosodiethanolamine1116-54-752 % similar
N-Nitrosodipropylamine621-64-752 % similar
Dinitrosopentamethylenetetramine101-25-743 % similar
N-Nitrosodiethylamine55-18-543 % similar
2,2'-(Nitrosoimino)bis(acetonitrile)16339-18-738 % similar
N-Formylpiperidine2591-86-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds