p-(4-Isopropyl-1-piperazinyl)phenol
Basic information
- CAS
67914-97-0- Standard SMILES
CC(C)N1CCN(c2ccc(O)cc2)CC1- InChIKey
BMBPGRMBBHKAEP-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Overview
4-(4-propan-2-yl-1-piperazinyl)phenol is a member of piperazines.
Names & identifiers
- Preferred name
- p-(4-Isopropyl-1-piperazinyl)phenol
- IUPAC
- 4-(4-propan-2-ylpiperazin-1-yl)phenol
- English name
- 1-Isopropyl-4-(4-hydroxyphenyl)piperazine
- Molecular formula
- C13H20N2O
- Molecular weight
- 220.31
Names & synonyms
EINECS 267-750-0p-(4-Isopropyl-1-piperazinyl)phenolP-[4-isopropyl-1-piperazinyl]phenolRefChem:857932267-750-067914-97-04-(4-isopropylpiperazin-1-yl)phenol1-ISOPROPYL-4-(4-HYDROXYPHENYL)PIPERAZINE4-(4-Isopropyl-piperazin-1-yl)-phenol4-(4-propan-2-ylpiperazin-1-yl)phenol4-[4-(propan-2-yl)piperazin-1-yl]phenolMFCD02071478
Show more names
4-(4-Hydroxyphenyl)-1-(1-Methylethyl)PiperazineTercozoleImpurity61-isopropyl-4-(4-hydroxyphenyl4-[4-(1-Methylethyl)piperazino]phenol4-(4-propan-2-yl-1-piperazinyl)phenol
4-(4-isopropyl-1-piperazinyl)phenolTerconazole Impurity 6Oprea1_105016AN-907/14236005MLS000698522SCHEMBL3146325CHEMBL1392389DTXSID70867400
Database identifiers
- CAS
67914-97-0- PubChem CID
- 689098
- DTXSID
DTXSID70867400- ChEMBL
CHEMBL1392389- ChEBI
CHEBI:116817- EC Number
- 267-750-0
- Nikkaji
- J287.744I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 274.4 °C · 274.4 °C(Solv: 1-butanol (71-36-3))
- Boiling point
- 364.8 · 364.8±37.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.30(Predicted)
- InChI
- InChI=1S/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3
- InChIKey
- BMBPGRMBBHKAEP-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(N2CCN(C(C)C)CC2)C=C1
- CAS DataBase Reference
- 67914 · 67914-97-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Additional notes
DefinitionChEBI: 4-(4-propan-2-yl-1-piperazinyl)phenol is a member of piperazines.
Related reactions
2 records
Compound notes
Loading…