Basic information
- CAS
2184223-32-1- Standard SMILES
O=[N+]([O-])c1ccc(CCNC[C@@H](O)c2ccccc2)cc1- InChIKey
GXTZAIGFWQRDSQ-MRXNPFEDSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- (S)-2-((4-nitrophenethyl)amino)-1-phenylethan-1-ol
- IUPAC
- (1S)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol
- English name
- (αS)-α-[[[2-(4-Nitrophenyl)ethyl]amino]methyl]benzenemethanol
- Molecular formula
- C16H18N2O3
- Molecular weight
- 286.33
Names & synonyms
2184223-32-1SCHEMBL28573926(S)-2-((4-nitrophenethyl)amino)-1-phenylethan-1-olMirabelon Impurity 48Mirabegron Impurity 97Mirabegron Impurities14Mirabegron EP Impurity-FAristolochic Acid Impurity 3 (Aristolochic Acid D)(αS)-α-[[[2-(4-Nitrophenyl)ethyl]amino]methyl]benzenemethanolBenzenemethanol, α-[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, (αS)-(αS)?-α-?[[[2-?(4-?Nitrophenyl)?ethyl]?amino]?methyl]?benzenemethanol(S)-2-((4-Nitrophenethyl)amino)-1-phenylethan-1-ol hydrochlorideQ: What is (S)-2-((4-Nitrophenethyl)amino)-1-phenylethan-1-ol hydrochloride Q: What is the CAS Number of (S)-2-((4-Nitrophenethyl)amino)-1-phenylethan-1-ol hydrochloride
Database identifiers
- CAS
2184223-32-1- PubChem CID
- 124402931
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 472.5 · 472.5±24.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 13.95 · 13.95±0.20(Predicted)
- form
- Solid
- color
- White
Chemistry & industry
Applications
Uses(αS)-α-[[[2-(4-Nitrophenyl)ethyl]amino]methyl]benzenemethanol is an intermediate in the synthesis of (S)-Mirabegron (M364895), which is an impurity of Mirabegron (M364900). Mirabegron is a potent bladder relaxant and reagent for diabetes remedy.
Suppliers13 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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