Basic information
- CAS
81241-79-4- Standard SMILES
ClCCCN1CCCCC1CCl- InChIKey
DJDLKHMZWYZCFR-UHFFFAOYSA-N- Molecular formula
- C9H17Cl2N
- Average molar mass
- 210.14 g/mol
- Monoisotopic mass
- 209.0738049
Overview
nitrogen mustard type antitumor agent; RN given refers to parent cpd; structure in first source
Names & identifiers
- Preferred name
- 1-(gamma-Chloropropyl)-2-chloromethylpiperidine
- IUPAC
- 2-(chloromethyl)-1-(3-chloropropyl)piperidine
- English name
- Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)-, hydrobromide
- Molecular formula
- C9H17Cl2N
- Molecular weight
- 210.14
Names & synonyms
1-(gamma-Chloropropyl)-2-chloromethylpiperidine81241-79-4Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)RefChem:746912-(chloromethyl)-1-(3-chloropropyl)piperidineDTXSID401027302DL-1-(gamma-Chloropropyl)-2-chloromethylpiperidineCHEMBL2007980SCHEMBL29361958DJDLKHMZWYZCFR-UHFFFAOYSA-NNCI60_001348Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)-
Show more names
Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)-, hydrobromide
Database identifiers
- CAS
81241-79-4- PubChem CID
- 133634
- DTXSID
DTXSID401027302- ChEMBL
CHEMBL2007980
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 281.5 · 281.5±15.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- 8.37 · 8.37±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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