Basic information
- CAS
181955-79-3- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1- InChIKey
IIZGWFQKLVCLLA-UHFFFAOYSA-N- Molecular formula
- C15H26N2O6
- Average molar mass
- 330.38 g/mol
Names & identifiers
- Preferred name
- 1,4-Di-Boc-piperazine-2-carboxylic acid
- IUPAC
- 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
- English name
- 1,4-BIS(N-BOC)PIPERAZINE-2-CARBOXYLIC ACID
- Molecular formula
- C15H26N2O6
- Molecular weight
- 330.38
Names & synonyms
181955-79-31,4-di-Boc-piperazine-2-carboxylic acidRefChem:416636694-485-11,4-bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid1-N-Boc-4-N-Boc-Piperazine-2-carboxylic acid1,4-Bis(N-Boc)piperazine-2-carboxylic acidMFCD021791151,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic AcidCS-W008592C15H26N2O61,4-Di-Boc-piperazine-2-carboxylic acid, 97%
Show more names
Piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester1,4-Bis(N-boc)piperazine-2-carboxylicaci1,4-Bis(Boc)-2-piperazinecarboxylic Acid1,4-bis-Boc-piperazine-2-carboxylic acid1,4-Di-Boc-piperazine-2-carboxylic acid 97%1,4-DI-BOC-PIPERAZINE-2-(+/-)-CARBOXYLIC ACID1,4-Di-Boc-piperazine-2-carboxylic acid, 97.5%1,2,4-Piperazinetricarboxylic acid 1,4-bis(tert-butyl) ester
N,N'-Di-tert-butyloxycarbonylpiperazine-2-carboxylic acid1,4-bis[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid1,4-Di-Boc-piperazine-2-carboxylicacid(R)-1,4-Bis(Boc)-2-piperazinecarboxylic AcidA4027FT-0653912SCHEMBL222271,4-BIS(N-BOC)PIPERAZINE-2-CARBOXYLICACID
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Melting point
- 142 · 142-148°C
- Boiling point
- 443.9 · 443.9±40.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.7 · 3.70±0.20(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
- InChIKey
- IIZGWFQKLVCLLA-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)N1CCN(C(C1)C(O)=O)C(=O)OC(C)(C)C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 3
- hs_code
- 29335990
- risk_code
- 36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers85 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
30 records
Compound notes
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