Cas no 160098-90-8 (Benzenebutanoic acid, a-(dimethylamino)-4-hydroxy-3,5-dimethoxy-,methyl ester, (+)-)
160098-90-8 structure
Product Name:Benzenebutanoic acid, a-(dimethylamino)-4-hydroxy-3,5-dimethoxy-,methyl ester, (+)-
CAS No:160098-90-8
MF:C15H23NO5
MW:297.346824884415
CID:176949
PubChem ID:188231
Update Time:2025-04-19
Benzenebutanoic acid, a-(dimethylamino)-4-hydroxy-3,5-dimethoxy-,methyl ester, (+)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, a-(dimethylamino)-4-hydroxy-3,5-dimethoxy-,methyl ester, (+)-
- methyl 2-(dimethylamino)-4-(4-hydroxy-3,5-dimethoxyphenyl)butanoate
- Benzenebutanoic acid, alpha-(dimethylamino)-4-hydroxy-3,5-dimethoxy-, methyl ester, (+)-
- Solorinine
- 160098-90-8
- DTXSID70936221
- (+)-Solorinine
-
- Inchi： 1S/C15H23NO5/c1-16(2)11(15(18)21-5)7-6-10-8-12(19-3)14(17)13(9-10)20-4/h8-9,11,17H,6-7H2,1-5H3
- InChI Key： CFZNGZOOAKOGEE-UHFFFAOYSA-N
- SMILES： O(C)C(C(CCC1C=C(C(=C(C=1)OC)O)OC)N(C)C)=O
Computed Properties
- Exact Mass: 297.158
- Monoisotopic Mass: 297.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 309
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- Density: 1.133
- Boiling Point: 425.6°Cat760mmHg
- Flash Point: 211.2°C
- Refractive Index: 1.519
Benzenebutanoic acid, a-(dimethylamino)-4-hydroxy-3,5-dimethoxy-,methyl ester, (+)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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