Basic information
- CAS
138227-62-0- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
UNNMTKGKCWNQNU-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.1528718
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
- English name
- tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
- Molecular formula
- C16H22N2O5
- Molecular weight
- 322.36
Names & synonyms
138227-62-0tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate1-BOC-4-(4-nitrophenoxy)piperidineMFCD062008821-Piperidinecarboxylic acid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester4-(4-Nitro-phenoxy)piperidine-1-carboxylic acid tert-butyl esterTERT-BUTYL 4-(4-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATESCHEMBL596980DTXSID60383402BUTTPARK 99\57-88UNNMTKGKCWNQNU-UHFFFAOYSA-N4-(4-Nitrophenoxy)piperidine-1-carboxylic acid tert-butyl ester
Show more names
4-(4-NITROPHENOXY)PIPERIDINE, N-BOC PROTECTED4-(4-Nitrophenoxy)piperidine,N-BOCprotected97%4-(4-Nitrophenoxy)piperidine, N-BOC protected 97%TERT-BUTYL 4-(4-NITROPHENOXY)PIPERIDINE-1-CARBOXYLATE(WXG02887)
AB12231-Boc-4-(4'-Nitrophenoxy)piperidineAKOS0158369261N-Boc 4-(4'-nitrophenyl) piperidineBS-21374SY258557DB-0632401N-BOC 4-(4'-NITROPHENOXY) PIPERIDINE
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 453.7 · 453.7±35.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.77 · -2.77±0.40(Predicted)
- InChI
- InChI=1S/C16H22N2O5/c1-16(2,3)23-15(19)17-10-8-14(9-11-17)22-13-6-4-12(5-7-13)18(20)21/h4-7,14H,8-11H2,1-3H3
- InChIKey
- UNNMTKGKCWNQNU-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(OC2=CC=C([N+]([O-])=O)C=C2)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers32 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
北京伊诺凯科技有限公司15652467323 · [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]
赛纳斯特化学（欢迎点击联系）021-60343070
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
Related reactions
33 records
Compound notes
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