Basic information
- CAS
57541-72-7- Standard SMILES
O=NN1CCC(Cl)C(Cl)C1- InChIKey
PWVLDTAMPHWUNX-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2N2O
- Average molar mass
- 183.03 g/mol
- Monoisotopic mass
- 182.0013683
Names & identifiers
- Preferred name
- 3,4-Dichloronitrosopiperidine
- IUPAC
- 3,4-dichloro-1-nitrosopiperidine
- English name
- 3,4-dichloronitrosopiperidine
- Molecular formula
- C5H8Cl2N2O
- Molecular weight
- 183.04
Names & synonyms
3,4-Dichloronitrosopiperidine57541-72-7N-Nitroso-3,4-dichloropiperidineRefChem:910353,4-dichloro-1-nitrosopiperidine3,4-Dichloro-N-nitrosopiperidinePiperidine, 3,4-dichloro-1-nitroso-BRN 15649515-20-03-00574 (Beilstein Handbook Reference)CHEMBL164834DTXSID30875602AKOS006276502
Show more names
DB-304087
Database identifiers
- CAS
57541-72-7- PubChem CID
- 91666
- DTXSID
DTXSID30875602- ChEMBL
CHEMBL164834- Nikkaji
- J1.082K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP1.04
Vapor Pressure0.00312 [mmHg]
Physicochemical properties
- Boiling point
- 44.6 °C · 44.6°C (rough estimate)
- Density
- 1.3619 · 1.3619 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES.
Chemistry & industry
Suppliers1 total
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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