Basic information
- CAS
6802-93-3- Standard SMILES
ClCCN1CCC(C2CCN(CCCl)CC2)CC1- InChIKey
JQIFJRXHLHKEAJ-UHFFFAOYSA-N- Molecular formula
- C14H26Cl2N2
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 292.1473042
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Bipiperidyl mustard
- IUPAC
- 1-(2-chloroethyl)-4-[1-(2-chloroethyl)piperidin-4-yl]piperidine
- English name
- bipiperidyl mustard
- Molecular formula
- C14H26Cl2N2
- Molecular weight
- 293.28
Names & synonyms
Bipiperidyl mustard1,1'-Bis(2-chloroethyl)-4,4'-bipiperidine6802-93-3N,N'-Bis(beta-chloroethyl)-4,4'-bipiperidineO95518658ZDTXSID302182121,1'-Bis(beta-chloroethyl)-4,4'-bipiperidineRefChem:119923DTXCID50140703BPMBRN 0133829UNII-O95518658Z
Show more names
4,4'-BIPIPERIDINE, 1,1'-BIS(2-CHLOROETHYL)-5-23-04-00090 (Beilstein Handbook Reference)BIPIPERIDYL MUSTARD [MI]N,N'-bis-[beta-chloroethyl]-4,4'-bipiperidineQ27285498N,N'-BIS(.BETA.-CHLOROETHYL)-4,4'-BIPIPERIDINE1,1'-BIS(.BETA.-CHLOROETHYL)-4,4'-BIPIPERIDINE
Database identifiers
- CAS
6802-93-3- PubChem CID
- 23243
- DTXSID
DTXSID30218212- UNII
- O95518658Z
- Nikkaji
- J14.622F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 376.1 · 376.1±42.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 8.54 · 8.54±0.10(Predicted)
- FDA UNII
- 95518658 Z · O95518658Z
- Toxicity
- 50 orally · LD50 orally in male quail: 75.0 mg/kg (Schafer)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orally in male quail: 75.0 mg/kg (Schafer)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…