Cas no 5516-73-4 (1H-Indole-3-aceticacid, 2-(3-piperidinyl)-, ethyl ester)
5516-73-4 structure
Product Name:1H-Indole-3-aceticacid, 2-(3-piperidinyl)-, ethyl ester
CAS No:5516-73-4
MF:C13H11N3S
MW:241.311540842056
CID:383305
PubChem ID:2110832
Update Time:2025-04-19
1H-Indole-3-aceticacid, 2-(3-piperidinyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-aceticacid, 2-(3-piperidinyl)-, ethyl ester
- 1-phenyl-3-thiophen-2-ylpyrazol-4-amine
- SR-01000052689-1
- 5516-73-4
- AGN-PC-0KC9NW
- AKOS017268962
- DTXSID00366557
- SR-01000052689
-
- Inchi： 1S/C13H11N3S/c14-11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-17-12/h1-9H,14H2
- InChI Key： UAMUSLJKSRYNCE-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C1C(=CN(C2C=CC=CC=2)N=1)N
Computed Properties
- Exact Mass: 241.06753
- Monoisotopic Mass: 241.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 2.6
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.31
- Boiling Point: 406.1°Cat760mmHg
- Flash Point: 199.4°C
- Refractive Index: 1.709
- PSA: 43.84
1H-Indole-3-aceticacid, 2-(3-piperidinyl)-, ethyl ester Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
5516-73-4 (1H-Indole-3-aceticacid, 2-(3-piperidinyl)-, ethyl ester) Related Products
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