Cas no 86343-59-1 (Propanoic acid,3-(dimethylamino)-2-methyl-, methyl ester, hydrobromide (1:1))
86343-59-1 structure
Product Name:Propanoic acid,3-(dimethylamino)-2-methyl-, methyl ester, hydrobromide (1:1)
CAS No:86343-59-1
MF:C7H16BrNO2
MW:226.111441612244
CID:721342
PubChem ID:3070304
Update Time:2025-04-19
Propanoic acid,3-(dimethylamino)-2-methyl-, methyl ester, hydrobromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(dimethylamino)-2-methyl-, methyl ester, hydrobromide (1:1)
- methyl 3-(dimethylamino)-2-methylpropanoate,hydrobromide
- methyl 3-dimethylamino-2-methyl-propanoate hydrobromide
- 86343-59-1
- Propionic acid, 2-((dimethylamino)methyl)-, methyl ester, hydrobromide
- DTXSID601006722
- Methyl 3-(dimethylamino)-2-methylpropanoate--hydrogen bromide (1/1)
- 2-((Dimethylamino)methyl)propionic acid methyl ester hydrobromide
- Propanoic acid, 3-(dimethylamino)-2-methyl-, methyl ester, hydrobromide
- methyl 3-(dimethylamino)-2-methylpropanoate;hydrobromide
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- Inchi： 1S/C7H15NO2.BrH/c1-6(5-8(2)3)7(9)10-4;/h6H,5H2,1-4H3;1H
- InChI Key： VIPHFKCBHWJPIU-UHFFFAOYSA-N
- SMILES： Br.O(C)C(C(C)CN(C)C)=O
Computed Properties
- Exact Mass: 225.03644g/mol
- Monoisotopic Mass: 225.03644g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 112
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5?2
Propanoic acid,3-(dimethylamino)-2-methyl-, methyl ester, hydrobromide (1:1) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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