Cas no 52045-41-7 ( )
structure
Product Name:
CAS No:52045-41-7
MF:C10H11NO
MW:161.200442552567
CID:936271
PubChem ID:312891
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-2-methyl-2,3-dihydroinden-1-one
- AC1L7MB3
- NSC225095
- NSC-225095
- SureCN2905609
- 52045-41-7
- 4-Amino-2-methyl-2,3-dihydro-1H-inden-1-one
- SCHEMBL2905609
- DTXSID30310306
-
-
- Inchi： 1S/C10H11NO/c1-6-5-8-7(10(6)12)3-2-4-9(8)11/h2-4,6H,5,11H2,1H3
- InChI Key： FCIDRKXQWRHLLJ-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=C(C=2CC1C)N
Computed Properties
- Exact Mass: 161.08413
- Monoisotopic Mass: 161.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 202
- 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: 1.6
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
- LogP: 2.22490
Related Literature
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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