1-[3-(Trifluoromethyl)benzyl]piperazine - CAS 55513-16-1
Catalog: |
BB047227 |
Product Name: |
1-[3-(Trifluoromethyl)benzyl]piperazine |
CAS: |
55513-16-1 |
Synonyms: |
1-{[3-(trifluoromethyl)phenyl]methyl}piperazine; Piperazine, 1-[[3-(trifluoromethyl)phenyl]methyl]- |
IUPAC Name: | 1-[[3-(trifluoromethyl)phenyl]methyl]piperazine |
Description: | 1-[3-(Trifluoromethyl)benzyl]piperazine (CAS# 55513-16-1 ) is a useful research chemical. |
Molecular Weight: | 244.26 |
Molecular Formula: | C12H15F3N2 |
Canonical SMILES: | C1CN(CCN1)CC2=CC(=CC=C2)C(F)(F)F |
InChI: | InChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-2-10(8-11)9-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9H2 |
InChI Key: | IUMQPHHEFKTLOZ-UHFFFAOYSA-N |
Purity: | 97+ % |
Density: | 1.179 g/mL |
Appearance: | Yellow to orange liquid |
GHS Hazard Statement: | H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.11873297 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.11873297 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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