Basic information
- CAS
265654-77-1- Standard SMILES
O=[N+]([O-])c1ccc(OCCN2CCCC2)cc1- InChIKey
RZIYRKYHMDDHCK-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609237
Names & identifiers
- Preferred name
- 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine
- IUPAC
- 1-[2-(4-nitrophenoxy)ethyl]pyrrolidine
- English name
- 4-(2-Pyrrolidin-1-ylethoxy)nitrobenzene
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
1-(2-(4-nitrophenoxy)ethyl)pyrrolidine265654-77-11-[2-(4-nitrophenoxy)ethyl]pyrrolidinePyrrolidine, 1-[2-(4-nitrophenoxy)ethyl]-MFCD013083901-nitro-4-(2-pyrrolidinylethoxy)benzene1-[2-(4-nitro-phenoxy)-ethyl]-pyrrolidinePyrrolidine,1-[2-(4-nitrophenoxy)ethyl]-HK2TZE3GB3Cambridge id 5467546Oprea1_488374SCHEMBL519633
Show more names
4-(2-Pyrrolidin-1-ylethoxy)nitrobenzene4-(2-(pyrrolidinyl)ethoxy)-1-nitrobenzene
DTXSID60329385RZIYRKYHMDDHCK-UHFFFAOYSA-NSBB026587AKOS005168742BS-22170DB-067649CS-0135263ST45135283
Database identifiers
- CAS
265654-77-1- PubChem CID
- 419858
- DTXSID
DTXSID60329385- UNII
- HK2TZE3GB3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 177 · 177-183 °C(Press: 2 Torr)
- Density
- 1.195 · 1.195
- storage temp.
- 2 · 2-8°C
- pka
- 9.28 · 9.28±0.20(Predicted)
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- hazard_code
- Xi
Chemistry & industry
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
11 records
Compound notes
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