3-[4-(2-Chloro-6-fluorobenzyl)piperazino]propylamine
Basic information
- CAS
306934-74-7- Standard SMILES
NCCCN1CCN(Cc2c(F)cccc2Cl)CC1- InChIKey
CEOASWXTZYXWTP-UHFFFAOYSA-N- Molecular formula
- C14H21ClFN3
- Average molar mass
- 285.79 g/mol
- Monoisotopic mass
- 285.1408035
Names & identifiers
- Preferred name
- 3-[4-(2-Chloro-6-fluorobenzyl)piperazino]propylamine
- IUPAC
- 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propan-1-amine
- English name
- 3-[4-(2-Chloro-6-fluorobenzyl)piperazino]propylamine
- Molecular formula
- C14H21ClFN3
- Molecular weight
- 285.79
Names & synonyms
306934-74-73-[4-(2-Chloro-6-fluorobenzyl)piperazino]propylamine3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propan-1-amine3-(4-(2-Chloro-6-fluorobenzyl)piperazin-1-yl)propan-1-amine3-{4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}propan-1-amineSCHEMBL656160DTXSID40381446CEOASWXTZYXWTP-UHFFFAOYSA-NMFCD02677685AKOS027380291DB-068324BUTTPARK 96\08-78
Show more names
3-[4-(2-CHLORO-6-FLUOROBENZYL)PIPERAZINE]PROPYLAMINE4-[(2-chloro-6-fluorophenyl)methyl]-1-Piperazinepropanamine1-Piperazinepropanamine, 4-[(2-chloro-6-fluorophenyl)methyl]-3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-1-propanamine
Database identifiers
- CAS
306934-74-7- PubChem CID
- 2779445
- DTXSID
DTXSID40381446
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 378.922 · 378.922±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.393 · 10.393±0.10(predicted)
- Hazard Codes
- Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2735 · 2735
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
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
- 2735
- hs_code
- 2933599590
- risk_code
- 34
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Related reactions
24 records
Compound notes
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