1-(2,4-Xylyl)piperazine
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Basic information
- CAS
1013-76-9- Standard SMILES
Cc1ccc(N2CCNCC2)c(C)c1- InChIKey
RUIMBVCRNZHCRQ-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1-(2,4-Xylyl)piperazine
- IUPAC
- 1-(2,4-dimethylphenyl)piperazine
- English name
- 1-(2,4-Dimethylphenyl)piperazine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
1-(2,4-Dimethylphenyl)Piperazine1013-76-91-(2,4-Xylyl)piperazineEINECS 213-797-7DTXSID50143830RefChem:420538DTXCID0066321213-797-7Piperazine, 1-(2,4-dimethylphenyl)-MFCD00023127(2,4-dimethylphenyl)piperazineN-(2,4-Dimethylphenyl)piperazine
Show more names
1-(2,4-Diemthylphenyl)PiperazineAKOS BB-5739Dapoxetine racemateTIMTEC-BB SBB0036504-DiMethylphenyl)piperazine1-(2,4-Dimethylphenyl)piperazine>Piperazine, 1-(2,4-dimethylphenyl)-1-(2,4-Dimethylphenyl)piperazine,99%
N-(2,4-Xylyl)piperazineK3VEQ8BX57SCHEMBL255197orb3022716SCHEMBL2836561Piperazine, 1-(2,4-xylyl)-TPL03141,1-dimethyl-4-phenyl piperazine
Database identifiers
- CAS
1013-76-9- PubChem CID
- 70544
- DTXSID
DTXSID50143830- UNII
- K3VEQ8BX57
- EC Number
- 213-797-7
- Nikkaji
- J217.135J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- 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
- 175
Physicochemical properties
- Boiling point
- 153 °C/10mmHg · 153°C/10mmHg(lit.)
- Density
- 1.013 · 1.0130
- refractive index
- 1.553 · 1.553-1.555
- pka
- 9 · 9.00±0.10(Predicted)
- form
- Liquid
- color
- Clear slightly colored
- InChI
- InChI=1S/C12H18N2/c1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
- InChIKey
- RUIMBVCRNZHCRQ-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=C(C)C=C2C)CCNCC1
- CAS DataBase Reference
- 1013 · 1013-76-9(CAS DataBase Reference)
- FDA UNII
- 3 VEQ8BX57 · K3VEQ8BX57
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
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
- ridadr
- 3267
- hs_code
- 29333990
- risk_code
- 36/37/38-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 24/25-26
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
125 records
Compound notes
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