Basic information
- Standard SMILES
O=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
CRGRJUULGQHKOZ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479224
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)piperidin-4-one
- IUPAC
- 1-(4-nitrophenyl)piperidin-4-one
- English name
- 4-Piperidinone, 1-(4-nitrophenyl)-
- Molecular formula
- C11H12N2O3
- Molecular weight
- 220.22
Names & synonyms
1-(4-nitrophenyl)piperidin-4-one23499-01-6DTXSID60397180RefChem:225547DTXCID403480394-Piperidinone, 1-(4-nitrophenyl)-MFCD002315701-(4-NITROPHENYL)-PIPERIDIN-4-ONE1-(4-Nitrophenyl)piperidine-4-one1-(4-nitro-phenyl)-piperidin-4-one1-[4-nitro-phenyl]-piperidin-4-one4-[4-oxo-piperidin-1-yl]-nitrobenzene
Show more names
1-(4-nitrophenyl)-4-piperidinone2(3H)-Benzoxazolone,6-bromo-6-(triphenylmethyl)-
4-(4-oxo-Piperidin-1-yl)-nitrobenzene1-(4-nitrophenyl)-4-piperidoneOprea1_331099SCHEMBL9441051-p-nitrophenyl-4-piperidinoneSCHEMBL30112472CRGRJUULGQHKOZ-UHFFFAOYSA-N1-(4-nitrophenyl) -4-piperidone
Database identifiers
- CAS
23499-01-6- PubChem CID
- 3842562
- DTXSID
DTXSID60397180
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 167 · 167.0-167.5 °C
- Boiling point
- 422.7 · 422.7±40.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.81 · 0.81±0.40(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
南京修合医药科技有限公司19848384152 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
上海寰川实业有限公司021-61478794 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海佰纳医药科技有限公司021-58123769 18678586262 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海佰纳医药科技有限公司021-58123769 17721400256 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
42 records
Linked notes
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