Cas no 221043-88-5 (Methyl 3-amino-4-propylthiophene-2-carboxylate)
221043-88-5 structure
Product Name:Methyl 3-amino-4-propylthiophene-2-carboxylate
CAS No:221043-88-5
MF:C9H13NO2S
MW:199.27002120018
CID:244118
Update Time:2023-08-02
Methyl 3-amino-4-propylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 2-Thiophenecarboxylicacid, 3-amino-4-propyl-, methyl ester
- 2-Thiophenecarboxylicacid,3-amino-4-propyl-,methylester(9CI)
- methyl 3-amino-4-propylthiophene-2-carboxylate
- 2-thiophenecarboxylic acid,3-amino-4-propyl-,methyl ester
- Methyl 3-amino-4-propylthiophene-2-carboxylate
-
- Inchi： 1S/C9H13NO2S/c1-3-4-6-5-13-8(7(6)10)9(11)12-2/h5H,3-4,10H2,1-2H3
- InChI Key： OQKUGOOAGIHEOC-UHFFFAOYSA-N
- SMILES： S1C=C(C(=C1C(=O)OC)N)CCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 187
- Topological Polar Surface Area: 80.6
Methyl 3-amino-4-propylthiophene-2-carboxylate Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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