Cas no 95585-90-3 (Etilefrine, (S)-)
Etilefrine, (S)- structure
Product Name:Etilefrine, (S)-
CAS No:95585-90-3
MF:C10H15NO2
MW:181.231602907181
CID:799615
Update Time:2023-08-03
Etilefrine, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, a-[(ethylamino)methyl]-3-hydroxy-,(aS)-
- Benzenemethanol, α-[(ethylamino)methyl]-3-hydroxy-, (S)-
- 75GO5PP6NS
- Etilefrine, (S)-
- (S)-alpha-[(Ethylamino)methyl]-3-hydroxybenzenemethanol
- Benzenemethanol, alpha-((ethylamino)methyl)-3-hydroxy-, (S)-
- Benzenemethanol, alpha-((ethylamino)methyl)-3-hydroxy-, (alphaS)-
-
- Inchi： 1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3/t10-/m1/s1
- InChI Key： SQVIAVUSQAWMKL-SNVBAGLBSA-N
- SMILES： O[C@@H](C1C=CC=C(C=1)O)CNCC
Computed Properties
- Exact Mass: 181.11
- Monoisotopic Mass: 181.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 52.5
Etilefrine, (S)- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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