(1S)-1-[4-(Propan-2-yloxy)phenyl]ethan-1-amine - CAS 1212078-33-5
Catalog: |
BB057761 |
Product Name: |
(1S)-1-[4-(Propan-2-yloxy)phenyl]ethan-1-amine |
CAS: |
1212078-33-5 |
Synonyms: |
(1S)-1-[4-(propan-2-yloxy)phenyl]ethan-1-amine; (S)-1-(4-Isopropoxyphenyl)ethanamine; (1S)-1-(4-propan-2-yloxyphenyl)ethanamine; (1S)-1-(4-ISOPROPOXYPHENYL)ETHANAMINE |
IUPAC Name: | (1S)-1-(4-propan-2-yloxyphenyl)ethanamine |
Description: | (1S)-1-[4-(Propan-2-yloxy)phenyl]ethan-1-amine is a useful reagent for the preparation of N-biphenylmethylindole modulators of PPARG for treatment of osteoporosis. |
Molecular Weight: | 179.25 |
Molecular Formula: | C11H17NO |
Canonical SMILES: | CC(C)OC1=CC=C(C=C1)C(C)N |
InChI: | InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m0/s1 |
InChI Key: | QDLPHPPYMUBDRB-VIFPVBQESA-N |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Inert atmosphere |
References: | Griffin, P. R., et al. PCT Int. Appl. (2015), WO 2015161108 A1. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10016394-B2 | PPARG modulators for treatment of osteoporosis | 20140416 |
US-2017035730-A1 | Pparg modulators for treatment of osteoporosis | 20140416 |
US-2018369196-A1 | PPARG Modulators for the Treatment of Osteoporosis | 20140416 |
WO-2015161108-A1 | Pparg modulators for treatment of osteoporosis | 20140416 |
US-10744117-B2 | PPARG modulators for the treatment of osteoporosis | 20140416 |
WO-2013046136-A1 | 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant idh | 20110927 |
US-2012309757-A1 | N-biphenylmethylindole modulators of pparg | 20110606 |
US-8957093-B2 | N-biphenylmethylindole modulators of PPARG | 20110606 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.131014166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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