N-Nitrosopiperazine
Basic information
- CAS
5632-47-3- Standard SMILES
O=NN1CCNCC1- InChIKey
CVTIZMOISGMZRJ-UHFFFAOYSA-N- Molecular formula
- C4H9N3O
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.07456191
Overview
N-Mononitrosopiperazine is a member of phytanoyl-CoAs.
Names & identifiers
- Preferred name
- N-Nitrosopiperazine
- IUPAC
- 1-nitrosopiperazine
- English name
- 1-nitrosopiperazine
- Molecular formula
- C4H9N3O
- Molecular weight
- 115.13
Names & synonyms
1-NitrosopiperazineN-Nitrosopiperazine5632-47-3MononitrosopiperazineDTXSID9021059RUF459I8KSNSC-525340DTXCID201059NSC-50269RefChem:76622803-995-7PIPERAZINE, 1-NITROSO-
Show more names
1-Nitroso-Piperazine HClRifaximin imp(NP)1-NitrosopiperizineRifaximin Impurity 5Rifaximin Impurity 15
nitrosopiperazineN-MONONITROSOPIPERAZINENSC 525340N-nitroso-piperazineNSC 50269N-nitroso piperazineCCRIS 6928BRN 0112147
Database identifiers
- CAS
5632-47-3- PubChem CID
- 21845
- DTXSID
DTXSID9021059- ChEMBL
CHEMBL1333- ChEBI
CHEBI:179298- UNII
- RUF459I8KS
- EC Number
- 803-995-7
- Nikkaji
- J2.237C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.4
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP0.18
Vapor Pressure0.01 [mmHg]
Physicochemical properties
- Boiling point
- 215.41 °C · 215.41°C (rough estimate)
- Density
- 1.1906 · 1.1906 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Pale Yellow to Yellow Oil to Semi-Solid
- pka
- 8.07 · 8.07±0.10(Predicted)
- Stability
- Light Sensitive
- FDA UNII
- 459 I8KS · RUF459I8KS
- Symbol(GHS)
- 8 · GHS08,GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P203, P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses changes in brain circulation, acute pulmonary edema, and fatty liver degeneration in oral lethal-dose studies of rats; [RTECS] See NITROSAMINES.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS05
- Hazard statements
- H317-H351-H334-H361-H314
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesA carcinogenic nitrosocompound.
Additional notes
DefinitionChEBI: N-Mononitrosopiperazine is a member of phytanoyl-CoAs.
Suppliers
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Related reactions
9 records
Compound notes
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