(R)-1-(2,4-Dimethoxyphenyl)ethanamine - CAS 1212160-02-5
Catalog: |
BB055839 |
Product Name: |
(R)-1-(2,4-Dimethoxyphenyl)ethanamine |
CAS: |
1212160-02-5 |
Synonyms: |
(αR)-2,4-Dimethoxy-α-methylbenzenemethanamine |
IUPAC Name: | (1R)-1-(2,4-dimethoxyphenyl)ethanamine |
Description: | (R)-1-(2,4-Dimethoxyphenyl)ethanamine is a chiral auxiliary for the synthesis of peptidomimetics through an Ugi reaction. |
Molecular Weight: | 181.23 |
Molecular Formula: | C10H15NO2 |
Canonical SMILES: | CC(C1=C(C=C(C=C1)OC)OC)N |
InChI: | InChI=1S/C10H15NO2/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-7H,11H2,1-3H3/t7-/m1/s1 |
InChI Key: | WZDFPSLDFRVYEU-SSDOTTSWSA-N |
References: | Klossowiski, S., et. al. Tetrahedron-Asymmetry, 25, 435 (2014). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-1853604-A2 | Chemical compounds | 20050304 |
JP-2008531716-A | Compound | 20050304 |
US-2009093454-A1 | Chemical Compounds | 20050304 |
WO-2006096444-A2 | Chemical compounds | 20050304 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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