Cas no 593236-91-0 (1H-Indole-3-carboxaldehyde,7-ethyl-1-(phenylmethyl)-(9CI))
593236-91-0 structure
Product Name:1H-Indole-3-carboxaldehyde,7-ethyl-1-(phenylmethyl)-(9CI)
CAS No:593236-91-0
MF:C18H17NO
MW:263.333684682846
CID:949976
PubChem ID:965809
Update Time:2025-04-19
1H-Indole-3-carboxaldehyde,7-ethyl-1-(phenylmethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxaldehyde,7-ethyl-1-(phenylmethyl)-(9CI)
- 7-ethyl-1-(phenylmethyl)-1H-Indole-3-carboxaldehyde
- 1-benzyl-7-ethyl-1H-indole-3-carbaldehyde
- 593236-91-0
- DB-072627
- AKOS000291027
- 1-benzyl-7-ethylindole-3-carbaldehyde
- STL376150
-
- Inchi： 1S/C18H17NO/c1-2-15-9-6-10-17-16(13-20)12-19(18(15)17)11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3
- InChI Key： IHHYAZNNSRQODB-UHFFFAOYSA-N
- SMILES： O=CC1=CN(CC2C=CC=CC=2)C2=C(C=CC=C21)CC
Computed Properties
- Exact Mass: 263.13100
- Monoisotopic Mass: 263.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 323
- 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: 3.9
- Topological Polar Surface Area: 22?2
Experimental Properties
- PSA: 22.00000
- LogP: 4.06450
1H-Indole-3-carboxaldehyde,7-ethyl-1-(phenylmethyl)-(9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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