[4-Amino-2-(trifluoromethyl)phenyl](4-methyl-1-piperazinyl)methanone - CAS 853297-04-8
Catalog: |
BB037588 |
Product Name: |
[4-Amino-2-(trifluoromethyl)phenyl](4-methyl-1-piperazinyl)methanone |
CAS: |
853297-04-8 |
Synonyms: |
[4-amino-2-(trifluoromethyl)phenyl]-(4-methyl-1-piperazinyl)methanone; [4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone |
IUPAC Name: | [4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone |
Description: | [4-Amino-2-(trifluoromethyl)phenyl](4-methyl-1-piperazinyl)methanone (CAS# 853297-04-8) is a useful research chemical. |
Molecular Weight: | 287.28 |
Molecular Formula: | C13H16F3N3O |
Canonical SMILES: | CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)N)C(F)(F)F |
InChI: | InChI=1S/C13H16F3N3O/c1-18-4-6-19(7-5-18)12(20)10-3-2-9(17)8-11(10)13(14,15)16/h2-3,8H,4-7,17H2,1H3 |
InChI Key: | MFOSAHLGQDMTAV-UHFFFAOYSA-N |
LogP: | 2.13220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2014396394-A1 | 1H-1,8- naphthyridin-2ones as anti proliferative compounds | 20140606 |
EP-3152205-A1 | 1h-1,8- naphthyridin-2ones as anti proliferative compounds | 20140606 |
JP-2017516867-A | 1H-1,8-naphthyridin-2-one as an antiproliferative compound | 20140606 |
KR-20170016921-A | 1h-1, 8-naphthyridin-2-ones as antiproliferative compounds | 20140606 |
US-10047088-B2 | 1H-1,8-naphthyridin-2-ones as anti proliferative compounds | 20140606 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.12454663 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.12454663 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Amines and Anilines
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