Ethyl 4-nitroso-1-piperazinecarboxylate
Basic information
- CAS
13256-15-0- Standard SMILES
CCOC(=O)N1CCN(N=O)CC1- InChIKey
OYHRVILJSHWJAE-UHFFFAOYSA-N- Molecular formula
- C7H13N3O3
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.09569129
Names & identifiers
- Preferred name
- Ethyl 4-nitroso-1-piperazinecarboxylate
- IUPAC
- ethyl 4-nitrosopiperazine-1-carboxylate
- English name
- 4-Nitrosopiperazine-1-carboxylic*acid ethyl ester
- Molecular formula
- C7H13N3O3
- Molecular weight
- 187.2
Names & synonyms
13256-15-0Ethyl 4-nitroso-1-piperazinecarboxylateN-Nitroso-N'-carbethoxypiperazine1-PIPERAZINECARBOXYLIC ACID, 4-NITROSO-, ETHYL ESTERBRN 0166941N-Nitroso-N'-carbaethoxypiperazinUNII-D8K56V729TN-Nitroso-N'-carbaethoxypiperazin [German]D8K56V729TDTXSID501576195-23-03-00219 (Beilstein Handbook Reference)RefChem:138784
Show more names
RS RMA04946n-nitroso-n’-carbethoxypiperazinen-nitroso-n’-carbaethoxypiperazinethyl4-nitroso-1-piperazinecarboxylate4-nitroso-1-piperazinecarboxylicaciethylester4-Nitroso-1-piperazinecarboxylic acid ethyl ester1-Piperazinecarboxylicacid,4-nitroso-,ethylester(7CI,8CI,9CI)
DTXCID50801101-Piperazinecarboxylic acid, 4-nitroso-ethyl esterOYHRVILJSHWJAE-UHFFFAOYSA-Nethyl 4-nitrosopiperazine-1-carboxylate4-NITROSOPIPERAZINE-1-CARBOXYLIC*ACID ETHYL ESTER4-Nitrosopiperazine-1-carboxylic acid ethyl esterCHEMBL350935EBC-85038
Database identifiers
- CAS
13256-15-0- PubChem CID
- 25808
- DTXSID
DTXSID50157619- ChEMBL
CHEMBL350935- UNII
- D8K56V729T
- EC Number
- 634-330-7
- Nikkaji
- J35.449J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 321.94 °C · 321.94°C (rough estimate)
- Density
- 1.2815 · 1.2815 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- liquid
- color
- yellow
- FDA UNII
- 8 K56V729T · D8K56V729T
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 22 · 22-36
- WGK Germany
- 3 · 3
- RTECS
- 1470000 · TL1470000
- Toxicity
- 50 scu-rat: · LD50 scu-rat: 400 mg/kg ZEKBAI 69,103,67
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
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- TL1470000
- Toxicity
- LD50 scu-rat: 400 mg/kg ZEKBAI 69,103,67
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H351
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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