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CAS No.: | 4801-57-4 |
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Name: | 1-Ethylpiperidine 1-oxide |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H15NO |
Molecular Weight: | 129.202 |
Synonyms: | 1-Ethylpiperidine 1-oxide |
PSA: | 29.43000 |
LogP: | 1.46360 |
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This chemical is called Piperidine, 1-ethyl-,1-oxide, and its systematic name is 1-ethylpiperidine 1-oxide. With the molecular formula of C7H15NO, its molecular weight is 129.20. The CAS registry number of this chemical is 4801-57-4.
Other characteristics of the Piperidine, 1-ethyl-,1-oxide can be summarised as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.06; (8)ACD/KOC (pH 7.4): 32.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+]1(CC)CCCCC1
2.InChI: InChI=1/C7H15NO/c1-2-8(9)6-4-3-5-7-8/h2-7H2,1H3
3.InChIKey: WJBMONKBNBEWTQ-UHFFFAOYAG