Basic information
- CAS
223786-53-6- Standard SMILES
O=C(O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
ZIRBMAVPCZUDTF-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(4-nitrophenyl)piperidine-4-carboxylic acid
- English name
- 1-(4-Nitrophenyl)piperidine-3-carboxylic acid
- Molecular formula
- C12H14N2O4
- Molecular weight
- 250.25
Names & synonyms
1-(4-nitrophenyl)piperidine-4-carboxylic acid223786-53-6DTXSID70377610RefChem:225548DTXCID803286381-(4-nitrophenyl)-4-piperidinecarboxylic acidMFCD00664471N-(4-Nitrophenyl)piperidine-4-carboxylic acidOprea1_492432SCHEMBL27881ZIRBMAVPCZUDTF-UHFFFAOYSA-NYIA78653
Show more names
AKOS B0344444-Carboxy-1-(4-nitrophenyl)piperidine1-(4-Nitrophenyl)piperidine-3-carboxylic acid4-Piperidinecarboxylic acid, 1-(4-nitrophenyl)-
SBB023691STK400049AKOS000152292AKOS015922614SB43805DB-017381CS-0206298ST45115554
Database identifiers
- CAS
223786-53-6- PubChem CID
- 2767265
- DTXSID
DTXSID70377610- Nikkaji
- J3.209.443K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 164 · 164-166
- Boiling point
- 484.4 · 484.4±40.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 4.49 · 4.49±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers14 total
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
平顶山隆维生物科技有限公司15343756688 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
15 records
Compound notes
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