Cas no 62119-49-7 (1H-Indole-2-carboxamide, 4-(oxiranylmethoxy)-)
62119-49-7 structure
Product Name:1H-Indole-2-carboxamide, 4-(oxiranylmethoxy)-
CAS No:62119-49-7
MF:C12H12N2O3
MW:232.235282897949
CID:457409
PubChem ID:4172349
Update Time:2025-04-19
1H-Indole-2-carboxamide, 4-(oxiranylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxamide, 4-(oxiranylmethoxy)-
- 4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide
- SCHEMBL4385990
- DTXSID40400247
- 62119-49-7
- PPFALTLMNHVYKA-UHFFFAOYSA-N
- 4-(2,3-epoxypropoxy)-1H-indole-2-carboxamide
-
- Inchi： 1S/C12H12N2O3/c13-12(15)10-4-8-9(14-10)2-1-3-11(8)17-6-7-5-16-7/h1-4,7,14H,5-6H2,(H2,13,15)
- InChI Key： PPFALTLMNHVYKA-UHFFFAOYSA-N
- SMILES： O1CC1COC1=CC=CC2=C1C=C(C(N)=O)N2
Computed Properties
- Exact Mass: 232.08486
- Monoisotopic Mass: 232.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 80.6?2
Experimental Properties
- PSA: 80.64
1H-Indole-2-carboxamide, 4-(oxiranylmethoxy)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolecarboxamides and derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Indolecarboxamides and derivatives
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