1-(4-Chlorophenyl)-2-methylpiperazine
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Basic information
- CAS
55117-80-1- Standard SMILES
CC1CNCCN1c1ccc(Cl)cc1- InChIKey
YOOLKLKIUUTLFC-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.0923762
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-methylpiperazine
- IUPAC
- 1-(4-chlorophenyl)-2-methylpiperazine
- English name
- 1-(4-Chlorophenyl)-2-methylpiperazine
- Molecular formula
- C11H15ClN2
- Molecular weight
- 210.7
Names & synonyms
1-(4-chlorophenyl)-2-methylpiperazine55117-80-11-(p-Chlorophenyl)-2-methylpiperazineDTXSID701286802RefChem:1054327DTXCID001717464259-488-0Piperazine, 1-(p-chlorophenyl)-2-methyl-Piperazine, 1-(4-chlorophenyl)-2-methyl-MLS002703360EINECS 259-488-0NSC 97022
Show more names
1-(4-Chlorophenyl)-2-methylpiperazine,98%
BRN 4421355NSC970221-(4-Chloro-phenyl)-2-methyl-piperazineSCHEMBL335933SCHEMBL6869329CHEMBL1879559WLN: T6M DNTJ C1 DR DGNSC-97022
Database identifiers
- CAS
55117-80-1- PubChem CID
- 98289
- DTXSID
DTXSID701286802- ChEMBL
CHEMBL1879559- EC Number
- 259-488-0
- Nikkaji
- J153.488B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 340.2 · 340.2±27.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.40(Predicted)
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Related reactions
15 records
Compound notes
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