Cas no 91119-15-2 (1H-Indole-2-carboxylicacid, 4-amino-1-methyl-, ethyl ester)
91119-15-2 structure
Product Name:1H-Indole-2-carboxylicacid, 4-amino-1-methyl-, ethyl ester
CAS No:91119-15-2
MF:C12H14N2O2
MW:218.251762866974
CID:799250
PubChem ID:13401554
Update Time:2025-04-19
1H-Indole-2-carboxylicacid, 4-amino-1-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylicacid, 4-amino-1-methyl-, ethyl ester
- ethyl 4-amino-1-methylindole-2-carboxylate
- ETHYL 4-AMINO-1-METHYL-1H-INDOLE-2-CARBOXYLATE
- ethyl 4-amino-1-methyl-2-indolecarboxylate
- 91119-15-2
- DTXSID90539596
- DGWXASOSEWWKAC-UHFFFAOYSA-N
- SCHEMBL7873379
-
- Inchi： 1S/C12H14N2O2/c1-3-16-12(15)11-7-8-9(13)5-4-6-10(8)14(11)2/h4-7H,3,13H2,1-2H3
- InChI Key： DGWXASOSEWWKAC-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC2C(=CC=CC=2N1C)N)=O
Computed Properties
- Exact Mass: 218.10600
- Monoisotopic Mass: 218.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 57.2?2
Experimental Properties
- Density: 1.22±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 135 oC
- Solubility: Very slightly soluble (0.41 g/l) (25 o C),
- PSA: 57.25000
- LogP: 2.51840
1H-Indole-2-carboxylicacid, 4-amino-1-methyl-, ethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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