4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzenamine - CAS 630125-91-6
Catalog: |
BB056060 |
Product Name: |
4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzenamine |
CAS: |
630125-91-6 |
Synonyms: |
4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline; 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline; 4-(4-ethyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine; Benzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-; 4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzenamine |
IUPAC Name: | 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline |
Molecular Weight: | 287.32 |
Molecular Formula: | C14H20F3N3 |
Canonical SMILES: | CCN1CCN(CC1)CC2=C(C=C(C=C2)N)C(F)(F)F |
InChI: | InChI=1S/C14H20F3N3/c1-2-19-5-7-20(8-6-19)10-11-3-4-12(18)9-13(11)14(15,16)17/h3-4,9H,2,5-8,10,18H2,1H3 |
InChI Key: | ZYWCDXFRHUHFNV-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Yellow Solid |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.16093214 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.16093214 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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