Basic information
- CAS
161948-70-5- Standard SMILES
CC(C)(C)OC(=O)N1CCC(OCC(=O)O)CC1- InChIKey
YHUAHIMRWSVXCN-UHFFFAOYSA-N- Molecular formula
- C12H21NO5
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.14197277
Names & identifiers
- Preferred name
- 2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid
- IUPAC
- 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetic acid
- English name
- N-Boc-4-carboxymethoxy-piperidine
- Molecular formula
- C12H21NO5
- Molecular weight
- 259.3
Names & synonyms
2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}oxy)acetic acid2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acidRefChem:447338816-011-6161948-70-5N-Boc-4-carboxymethoxypiperidine(1-Boc-4-piperidinyloxy)acetic acidN-Boc-4-carboxymethoxy-piperidineMFCD021789874-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetic acid{[1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}acetic acid
Show more names
ST5313750ASN 07731208ASINEX-REAG BAS 077312081-Boc-4-Carboxymethoxy-Piperidine2-[(1-Boc-4-piperidyl)oxy]acetic Acid(1-Boc-4-piperidinyloxy)aceticacid,95%(1-Boc-4-piperidinyloxy)acetic acid, 95%(1-Boc-4-piperidinyloxy)acetic acid - [C0836]
1-piperidinecarboxylic acid, 4-(carboxymethoxy)-, 1-(1,1-dimethylethyl) esterF2158-1140SCHEMBL6101842-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]acetic acidorb31756442-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)acetic acid2-((1-(tert-butoxycarbonyl)piperidin-4-yl)oxy)acetic acidDTXSID00363607
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 105 · 105-107℃
- Boiling point
- 406.7 · 406.7±35.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.42 · 3.42±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-9(5-7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
- InChIKey
- YHUAHIMRWSVXCN-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(OCC(O)=O)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers54 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
15 records
Compound notes
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