Cas no 61780-02-7 (Methanone, (4-butylphenyl)-3-pyridinyl-, oxime)
61780-02-7 structure
Product Name:Methanone, (4-butylphenyl)-3-pyridinyl-, oxime
CAS No:61780-02-7
MF:C16H18N2O
MW:254.326923847198
CID:466428
PubChem ID:71392296
Update Time:2025-04-19
Methanone, (4-butylphenyl)-3-pyridinyl-, oxime Chemical and Physical Properties
Names and Identifiers
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- Methanone, (4-butylphenyl)-3-pyridinyl-, oxime
- N-[(4-butylphenyl)-pyridin-3-ylmethylidene]hydroxylamine
- N-[(4-BUTYLPHENYL)(PYRIDIN-3-YL)METHYLIDENE]HYDROXYLAMINE
- DTXSID10814115
- 61780-02-7
-
- Inchi： 1S/C16H18N2O/c1-2-3-5-13-7-9-14(10-8-13)16(18-19)15-6-4-11-17-12-15/h4,6-12,19H,2-3,5H2,1H3
- InChI Key： ASCPLVJDJRWOFF-UHFFFAOYSA-N
- SMILES： ON=C(C1C=NC=CC=1)C1C=CC(=CC=1)CCCC
Computed Properties
- Exact Mass: 254.14204
- Monoisotopic Mass: 254.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.3
- Topological Polar Surface Area: 45.5?2
Experimental Properties
- PSA: 45.48
Methanone, (4-butylphenyl)-3-pyridinyl-, oxime Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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