Cas no 919366-33-9 (1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester)
919366-33-9 structure
Product Name:1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester
CAS No:919366-33-9
MF:C17H21NO3
MW:287.353544950485
CID:763214
PubChem ID:74764148
Update Time:2025-04-19
1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester
- benzyl 2-butyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
- Benzyl 2-n-butyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
- Phenylmethyl 2-butyl-3,4-dihydro-4-oxo-1(2H)-pyridinecarboxylate
- DTXSID301169965
- 919366-33-9
-
- MDL: MFCD11975372
- Inchi: 1S/C17H21NO3/c1-2-3-9-15-12-16(19)10-11-18(15)17(20)21-13-14-7-5-4-6-8-14/h4-8,10-11,15H,2-3,9,12-13H2,1H3
- InChI Key: HKQZGCXWECGGSU-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C(N1C=CC(CC1CCCC)=O)=O
Computed Properties
- Exact Mass: 287.15214353g/mol
- Monoisotopic Mass: 287.15214353g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 386
- 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: 3.1
- Topological Polar Surface Area: 46.6?2
1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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