1-(3-Trifluoromethylphenyl)ethylamine - CAS 59382-36-4
Catalog: |
BB030366 |
Product Name: |
1-(3-Trifluoromethylphenyl)ethylamine |
CAS: |
59382-36-4 |
Synonyms: |
1-[3-(trifluoromethyl)phenyl]ethanamine; 1-[3-(trifluoromethyl)phenyl]ethanamine |
IUPAC Name: | 1-[3-(trifluoromethyl)phenyl]ethanamine |
Description: | 1-(3-Trifluoromethylphenyl)ethylamine (CAS# 59382-36-4) is a useful research chemical. |
Molecular Weight: | 189.18 |
Molecular Formula: | C9H10F3N |
Canonical SMILES: | CC(C1=CC(=CC=C1)C(F)(F)F)N |
InChI: | InChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3 |
InChI Key: | ODZXRBRYQGYVJY-UHFFFAOYSA-N |
Boiling Point: | 0 °C |
Density: | 1.18 g/cm3 |
MDL: | MFCD04038877 |
LogP: | 3.42540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021023616-A1 | Alcohol derivatives as kv7 potassium channel openers for use in epilepsy or seizures | 20190802 |
US-2020407327-A1 | Tead inhibitors and uses thereof | 20190531 |
WO-2020243415-A2 | Tead inhibitors and uses thereof | 20190531 |
WO-2020243135-A1 | Fused heterocyclic derivatives | 20190528 |
WO-2019161877-A1 | Alcohol derivatives as kv7 potassium channel openers | 20180220 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.07653381 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.07653381 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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