4-Amino-3-methyl-alpha,alpha-bis(trifluoromethyl)benzyl Alcohol - CAS 1992-09-2
Catalog: |
BB015381 |
Product Name: |
4-Amino-3-methyl-alpha,alpha-bis(trifluoromethyl)benzyl Alcohol |
CAS: |
1992-09-2 |
Synonyms: |
2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoro-2-propanol; 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol |
IUPAC Name: | 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol |
Description: | 4-Amino-3-methyl-alpha,alpha-bis(trifluoromethyl)benzyl Alcohol (CAS# 1992-09-2 ) is a useful research chemical. |
Molecular Weight: | 273.17 |
Molecular Formula: | C10H9F6NO |
Canonical SMILES: | CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)N |
InChI: | InChI=1S/C10H9F6NO/c1-5-4-6(2-3-7(5)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3 |
InChI Key: | BBKBZCHWYBHANQ-UHFFFAOYSA-N |
LogP: | 3.47060 |
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 |
CN-110272361-A | The phthalic diamides compound of the hexafluoro isopropyl containing alkoxy and its application | 20190711 |
CN-110272361-B | Phthalic diamide compound containing alkoxy hexafluoroisopropyl and application thereof | 20190711 |
US-2018215707-A1 | Ror-gamma modulators and uses thereof | 20140327 |
US-11084784-B2 | ROR-gamma modulators and uses thereof | 20140327 |
AU-2014359324-B2 | ROR gamma (RORy) modulators | 20131205 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.05883288 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.05883288 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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