2-[4-(4-Fluorophenyl)piperazin-1-yl]ethanamine
Basic information
- CAS
27144-84-9- Standard SMILES
NCCN1CCN(c2ccc(F)cc2)CC1- InChIKey
ARMGEGHYHDTIII-UHFFFAOYSA-N- Molecular formula
- C12H18FN3
- Average molar mass
- 223.29 g/mol
- Monoisotopic mass
- 223.14847575
Names & identifiers
- Preferred name
- 2-[4-(4-Fluorophenyl)piperazin-1-yl]ethanamine
- IUPAC
- 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanamine
- English name
- 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanamine
- Molecular formula
- C12H18FN3
- Molecular weight
- 223.29
Names & synonyms
27144-84-92-[4-(4-fluorophenyl)piperazin-1-yl]ethanamine2-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]ETHAN-1-AMINEF2187-21902-(4-(4-fluorophenyl)piperazin-1-yl)ethan-1-amineSCHEMBL1307372CHEMBL4530921DTXSID30602657SMSSF-0018149MFCD09723204AKOS000151417AB51088
Show more names
OTAVA-BB 70206903971-Piperazineethanamine, 4-(4-fluorophenyl)-2-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-ETHYLAMINE
SY174554CS-0450551EN300-37340VU0490386-1G341672-[4-(p-fluorophenyl)-1-piperazinyl]ethylamine{2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}amineZ285207352
Database identifiers
- CAS
27144-84-9- PubChem CID
- 20115696
- DTXSID
DTXSID30602657- ChEMBL
CHEMBL4530921- EC Number
- 169-626-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 138 · 138-142 °C(Press: 0.05 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H314-H332
- Precautionary statements
- 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-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.
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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H312-H314-H332
- Precautionary statements
- P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
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Compound notes
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