Cas no 17017-66-2 (Ethyl 1-benzyl-1H-indole-2-carboxylate)
17017-66-2 structure
Product Name:Ethyl 1-benzyl-1H-indole-2-carboxylate
CAS No:17017-66-2
MF:C18H17NO2
MW:279.333084821701
CID:199763
PubChem ID:140166
Update Time:2025-04-19
Ethyl 1-benzyl-1H-indole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 1-benzyl-1H-indole-2-carboxylate
- 1-Benzyl-1H-indole-2-carboxylic acid ethyl ester
- 1H-Indole-2-carboxylicacid, 1-(phenylmethyl)-, ethyl ester
- ETHYL 1-BENZYLINDOLE-2-CARBOXYLATE
- 1-benzyl-2-(ethoxycarbonyl)indole
- 1-benzyl-indole-2-carboxylic acid ethyl ester
- 2-(N-Benzylindolyl)-carbonsaeureethylester
- AC1L3GDD
- ethyl 1-(phenylmethyl)-1H-indole-2-carboxylate
- Ethyl-1-benzylindole-2-carboxylate
- Indole-2-carboxylic acid, 1-benzyl-, ethyl ester
- SureCN4798323
- Ethyl 1-benzyl-2-indolecarboxylate
- ethyl 1-(phenylmethyl)indole-2-carboxylate
- 1-(benzyl)indole-2-carboxylic acid ethyl ester
- 1-(phenylmethyl)-2-indolecarboxylic acid ethyl ester
- CHEMBL4593872
- MFCD12025378
- DTXSID80168814
- ZILCNJGUDMJWJT-UHFFFAOYSA-N
- AKOS004911100
- 17017-66-2
- Ethyl-1-benzylindole carboxylate
- SCHEMBL4798323
- TQP0245
-
- MDL： MFCD12025378
- Inchi： 1S/C18H17NO2/c1-2-21-18(20)17-12-15-10-6-7-11-16(15)19(17)13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3
- InChI Key： ZILCNJGUDMJWJT-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC2C=CC=CC=2N1CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 279.12601
- Monoisotopic Mass: 279.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 351
- 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
- Topological Polar Surface Area: 31.2A^2
- XLogP3: 4.1
Experimental Properties
- Density: 1.11
- Melting Point: 55-56 oC
- Boiling Point: 451°C at 760 mmHg
- Flash Point: 226.5°C
- Refractive Index: 1.584
- PSA: 31.23
Ethyl 1-benzyl-1H-indole-2-carboxylate Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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