Basic information
- CAS
77279-24-4- Standard SMILES
CC(C)(C)OC(=O)N1CCN(CCO)CC1- InChIKey
VRXIOAYUQIITBU-UHFFFAOYSA-N- Molecular formula
- C11H22N2O3
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.16304256
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
- English name
- tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
- Molecular formula
- C11H22N2O3
- Molecular weight
- 230.3
Names & synonyms
77279-24-4Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylateDTXSID20352816RefChem:383472DTXCID40303880627-816-51-Boc-4-(2-hydroxyethyl)piperazineMFCD00728947867359-85-1tert-butyl 4-(2-hydroxyethyl)tetrahydro-1(2h)-pyrazinecarboxylate1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 1,1-dimethylethyl ester1,1-Dimethylethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
Show more names
BUTTPARK 46\04-31Boc-Piperazine-OHBOC-N-(2-HYDROXYETHYL)PIPERAZINE1-Boc-4-(2-hydroxyethyl)-piperaziN-Boc-N’-(2-hydroxyethyl)-piperazine1-Boc-4-(2-hydroxyethyl)piperazine 97%N-BOC-Nzzhlxy-(2-hydroxyethyl)piperazinetert-Butyl 4-(2-hydroxyethyl)piperazine-1-4-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE
tert-butyl 4-(2-hydroxyethyl)piperazinecarboxylate1-Boc-4-(2-hydroxyethyl)-piperazineSCHEMBL39756N-Boc-4-hydroxyethylpiperazinetert-butyl 4-(2-hydroxyethyl)-1-piperazinecarboxylateSCHEMBL15474971VRXIOAYUQIITBU-UHFFFAOYSA-N4-(2-hydroxyethyl)piperazine-1-carboxylic acid tert-butyl ester
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 38 · 38-42 °C
- Boiling point
- 114 °C · 114°C 0,1mm
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- Flash point
- 110 °C · 110 °C
- storage temp.
- 2 · 2-8°C
- pka
- 14.96 · 14.96±0.10(Predicted)
- form
- Solid
- color
- White to pale brown
- InChI
- InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3
- InChIKey
- VRXIOAYUQIITBU-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCN(CCO)CC1
- CAS DataBase Reference
- 77279 · 77279-24-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H400
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (91.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933599590
- risk_code
- 36/37/38-50-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- C,N,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-61-45
- hazard_class
- 6.1
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H301-H400
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Applications
UsesBoc-Piperazine-OH is a PROTAC Linker in SJ46420 (HY-168635)[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers83 total
宁波振岳医药科技有限公司19817745290 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.
Related reactions
54 records
Compound notes
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