Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCNCC1- InChIKey
CWXPZXBSDSIRCS-UHFFFAOYSA-N- Molecular formula
- C9H18N2O2
- Average molar mass
- 186.25 g/mol
Names & identifiers
- Preferred name
- tert-Butyl piperazine-1-carboxylate
- IUPAC
- tert-butyl piperazine-1-carboxylate
- English name
- 1-(Piperazine-13C4)carboxylic Acid tert-B
- Molecular formula
- C9H18N2O2
- Molecular weight
- 186.25142
Names & synonyms
1-Boc-piperazine57260-71-6tert-butyl piperazine-1-carboxylateN-Boc-piperazine1-(tert-Butoxycarbonyl)piperazineN-t-Butoxycarbonylpiperazine1-piperazinecarboxylic acid, 1,1-dimethylethyl estert-butyl piperazine-1-carboxylateLBC2X3S28CDTXSID30205884EC 611-489-0RefChem:896481
Show more names
N-Boc-piperazine-13C41-(tert-Butoxycarbonyl)piperazine-13C4tert-Butyl 1-(Piperazine-13C4)carboxylate1-(Piperazine-13C4)carboxylic Acid tert-B1-[(1,1-DiMethylethoxy)carbonyl]piperazine-13C41-(Piperazine-13C4)carboxylic Acid 1,1-DiMethylethyl Ester
DTXCID60128375611-489-0InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3Htert-Butyl 1-piperazinecarboxylate1-N-Boc-piperazineMFCD00075265piperazine-1-carboxylic acid tert-butyl esterN-tert-butoxycarbonylpiperazine
Database identifiers
- CAS
1391054-31-1- ChEMBL
CHEMBL6176768- UNII
- LBC2X3S28C
- EC Number
- 611-489-0
- Nikkaji
- J393.816F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 14.1% (10 of 71) of reports.
Warning
H315 (76.1%): 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 71 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 27-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17850
Hazard Classes and CategoriesSkin Irrit. 2 (76.1%)
Chemistry & industry
Applications
UsesN-Boc-piperazine-13C4 (cas# 1391054-31-1) is a compound useful in organic synthesis.
Suppliers2 total
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…