Basic information
- CAS
330978-94-4- Standard SMILES
CCOC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
XWOSUDTUEZKYSX-UHFFFAOYSA-N- Molecular formula
- C14H18N2O6S
- Average molar mass
- 342.37 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-[(4-nitrophenyl)sulfonyl]piperidine-4-carboxylate
- IUPAC
- ethyl 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate
- English name
- 1-(4-Nitro-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
- Molecular formula
- C14H18N2O6S
- Molecular weight
- 342.37
Names & synonyms
330978-94-4Ethyl 1-((4-nitrophenyl)sulfonyl)piperidine-4-carboxylateethyl 1-[(4-nitrophenyl)sulfonyl]piperidine-4-carboxylateethyl 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylateethyl 1-(4-nitrobenzenesulfonyl)piperidine-4-carboxylateMFCD00577505ethyl 1-({4-nitrophenyl}sulfonyl)piperidine-4-carboxylateOprea1_586816Oprea1_644144ethyl 1-[(4-nitrophenyl)sulfonyl]-4-piperidinecarboxylateSBB009523STK062625
Show more names
1-(4-Nitro-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester4-Piperidinecarboxylic acid, 1-[(4-nitrophenyl)sulfonyl]-, ethyl ester
AKOS000310129AKOS015922180CS-0299077ST45156899EN300-2296771R-1327AG-690/09161005SR-01000477837
Database identifiers
- CAS
330978-94-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- Boiling point
- 491.4 · 491.4±55.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- pka
- -6.94 · -6.94±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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