1-(1-(2,4-Difluorophenyl)propyl)piperazine
Basic information
- CAS
518971-87-4- Standard SMILES
CCC(c1ccc(F)cc1F)N1CCNCC1- InChIKey
HYMGMPAHOVBUMS-UHFFFAOYSA-N- Molecular formula
- C13H18F2N2
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.14380491
Names & identifiers
- Preferred name
- 1-(1-(2,4-Difluorophenyl)propyl)piperazine
- IUPAC
- 1-[1-(2,4-difluorophenyl)propyl]piperazine
Names & synonyms
1-[1-(2,4-difluorophenyl)propyl]piperazine518971-87-41-(1-(2,4-Difluorophenyl)propyl)piperazineRefChem:419521979-245-9TVA97187AKOS022550156CS-0263881EN300-90501Z1259339643
Database identifiers
- CAS
518971-87-4- PubChem CID
- 3979824
- EC Number
- 979-245-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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