2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine - CAS 158388-49-9
Catalog: |
BB011408 |
Product Name: |
2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine |
CAS: |
158388-49-9 |
Synonyms: |
2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanamine; 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanamine |
IUPAC Name: | 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanamine |
Description: | 2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine (CAS# 158388-49-9) is a useful research chemical. |
Molecular Weight: | 243.15 |
Molecular Formula: | C9H7F6N |
Canonical SMILES: | C1=CC(=CC=C1C(C(F)(F)F)N)C(F)(F)F |
InChI: | InChI=1S/C9H7F6N/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7H,16H2 |
InChI Key: | MSVVDWREITXLOD-UHFFFAOYSA-N |
Boiling Point: | 216.4 °C at 760 mmHg |
Density: | 1.377 g/cm3 |
LogP: | 3.96780 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2934132-A1 | Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2c antagonists | 20131219 |
EP-3083594-A1 | Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2c antagonists | 20131219 |
JP-2017503783-A | Substituted bipiperidinyl derivatives as adrenergic receptor alpha 2C antagonists | 20131219 |
US-2016318866-A1 | Substituted bipiperidinyl derivatives | 20131219 |
WO-2015091415-A1 | Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2c antagonists | 20131219 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.04826820 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.04826820 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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