1-(2,5-Xylyl)piperazine
Basic information
- CAS
1013-25-8- Standard SMILES
Cc1ccc(C)c(N2CCNCC2)c1- InChIKey
YRIFWVMRUFKWLM-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1-(2,5-Xylyl)piperazine
- IUPAC
- 1-(2,5-dimethylphenyl)piperazine
- English name
- 1-(2,5-Dimethylphenyl)piperazine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
1-(2,5-Dimethylphenyl)piperazine1013-25-81-(2,5-Xylyl)piperazineEINECS 213-795-6DTXSID20143827RefChem:420601DTXCID1066318213-795-6Piperazine, 1-(2,5-dimethylphenyl)-MFCD00038378(2,5-dimethylphenyl)piperazine1-(2,5-Dimethyl-phenyl)-piperazine
Show more names
AKOS BB-5740AKOS BBS-000035984-(510-Butyl)phenolTIMTEC-BB SBB003654LABOTEST-BB LT004552551-(2,5-Dimethylphenyl)piperazine,99%1-(2,5-DIMETHYLPHENYL)PIPERAZINE 99%
2,5-dimethylphenylpiperazineSCHEMBL255418SCHEMBL3123741SCHEMBL29805912N-(2,5-Dimethylphenyl)piperazine1-(2,5-dimethylphenyl)-piperazine4-(2,5-dimethyl-phenyl)piperazineBAA01325
Database identifiers
- CAS
1013-25-8- PubChem CID
- 70542
- DTXSID
DTXSID20143827- EC Number
- 213-795-6
- Nikkaji
- J217.133C
Properties
Computed structural properties
- 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
- Melting point
- 42 · 42-46 °C
- Boiling point
- 154 °C · 154°C 10mm
- Density
- 1.032 · 1.0320 (rough estimate)
- refractive index
- 1.5586 · 1.5586 (estimate)
- Flash point
- 154 °C/10mm · 154°C/10mm
- storage temp.
- 0 · 0-6°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.05 · 9.05±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 611229 · 611229
- InChI
- 1S/C12H18N2/c1-10-3-4-11(2)12(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
- InChIKey
- YRIFWVMRUFKWLM-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C)c(c1)N2CCNCC2
- CAS DataBase Reference
- 1013 · 1013-25-8(CAS DataBase Reference)
- Comptox DTXSID
- 20143827 · DTXSID20143827
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- ridadr
- 3259
- hs_code
- 2933599090
- risk_code
- 36/37/38-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 24/25-26
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Related reactions
33 records
Compound notes
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