Basic information
- CAS
89151-46-2- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CCI)CC1- InChIKey
IONMNRHLZXJDJX-UHFFFAOYSA-N- Molecular formula
- C12H22INO2
- Average molar mass
- 339.21 g/mol
- Monoisotopic mass
- 339.06953
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate
- English name
- 1-Boc-4-(2-iodoethyl)piperidine
- Molecular formula
- C12H22INO2
- Molecular weight
- 339.21
Names & synonyms
89151-46-2Tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylateDTXSID10433567RefChem:383475DTXCID80384395974-653-31-BOC-4-(2-IODOETHYL)PIPERIDINEMFCD171712501-Piperidinecarboxylic acid, 4-(2-iodoethyl)-, 1,1-dimethylethyl estert-butyl 4-(2-iodoethyl)-1-piperidinecarboxylateSCHEMBL310276Boc-4-(2-iodoethyl) piperidine
Show more names
1-Boc-4-(2-Iodoethyl)Piperidine(WX630127)tert-butyl 4-(2-iodoethyl)-1-piperidinecarboxylate4-(2-Iodo-ethyl)-piperidine-1-carboxylic acid tert-butyl ester
IONMNRHLZXJDJX-UHFFFAOYSA-NPDA151462-(N-BOC-4-piperidinyl)ethyl iodideAKOS027255506SB154622-(N-Boc-Piperidin-4-yl)ethyl iodideAS-72682SY335156
Database identifiers
- CAS
89151-46-2- PubChem CID
- 9974426
- DTXSID
DTXSID10433567- EC Number
- 974-653-3
- Nikkaji
- J1.832.914J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 351.9 · 351.9±15.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- -1.48 · -1.48±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [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]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
50 records
Compound notes
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