Cas no 89434-18-4 (1-Butanone, 4-(methylamino)-1-phenyl-)
89434-18-4 structure
Product Name:1-Butanone, 4-(methylamino)-1-phenyl-
CAS No:89434-18-4
MF:C11H15NO
MW:177.242902994156
CID:600997
PubChem ID:53404240
Update Time:2025-04-19
1-Butanone, 4-(methylamino)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 4-(methylamino)-1-phenyl-
- 4-(methylamino)-1-phenylbutan-1-one
- 89434-18-4
- SCHEMBL20643854
- DTXSID30695347
-
- MDL: MFCD11848426
- Inchi: 1S/C11H15NO/c1-12-9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3
- InChI Key: FATHLVFIKNGZAA-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1)CCCNC
Computed Properties
- Exact Mass: 177.115
- Monoisotopic Mass: 177.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 150
- 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: 1.5
- Topological Polar Surface Area: 29.1?2
1-Butanone, 4-(methylamino)-1-phenyl- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
89434-18-4 (1-Butanone, 4-(methylamino)-1-phenyl-) Related Products
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
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