2-(1,3-Dimethylbutyl)benzenamine - CAS 203448-76-4
Catalog: |
BB055626 |
Product Name: |
2-(1,3-Dimethylbutyl)benzenamine |
CAS: |
203448-76-4 |
Synonyms: |
2-(4-methylpentan-2-yl)aniline; 2-(1,3-Dimethylbutyl)benzenamine; Benzenamine, 2-(1,3-dimethylbutyl)-; 2-(1,3-dimethylbutyl)aniline; 2-(1,3-dimethylbutyl)-Benzenamine; 2-(1,3-dimethylbutyl)phenylamine |
IUPAC Name: | 2-(4-methylpentan-2-yl)aniline |
Molecular Weight: | 177.29 |
Molecular Formula: | C12H19N |
Canonical SMILES: | CC(C)CC(C)C1=CC=CC=C1N |
InChI: | InChI=1S/C12H19N/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h4-7,9-10H,8,13H2,1-3H3 |
InChI Key: | LPZZJKBLKQOBMZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P273, P391, and P501 |
Publication Number | Title | Priority Date |
WO-2019168112-A1 | Imide derivative and bactericide containing same as active ingredient | 20180228 |
CN-111788200-A | Imide derivative and fungicide comprising the same as active ingredient | 20180228 |
EP-3760627-A1 | Imide derivative and bactericide containing same as active ingredient | 20180228 |
JP-WO2019168112-A1 | Imide derivatives and fungicides containing them as active ingredients | 20180228 |
US-2021007356-A1 | Imide derivative and fungicide containing said derivative as active ingredient | 20180228 |
AU-2018311019-A1 | Quinoline derivatives for treating infections with helminths | 20170804 |
CA-3071759-A1 | Quinoline derivatives for treating infections with helminths | 20170804 |
CN-111132977-A | Quinoline derivatives for the treatment of helminth infections | 20170804 |
EP-3634959-A1 | Quinoline derivatives for treating infections with helminths | 20170804 |
KR-20200036909-A | Quinoline derivatives for treating infections caused by worms | 20170804 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.15174961 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.15174961 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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