tert-Butyl piperazine-1-carboxylate

HCID 178837410CAS 1126621-87-1
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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
Piperazine-3,3,5,5-d4-N-t-BOC
Molecular formula
C9H18N2O2
Molecular weight
186.26

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
tert-Butyl piperazine-1-carboxylate-3,3,5,5-d4Piperazine-3,3,5,5-d4-N-t-BOCtert-butyl 3,3,5,5-tetradeuteriopiperazine-1-carboxylate
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
1126621-87-1
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

Safety & regulation

GHS classification

GHS Classification · 5 items

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-d4 is a deuterium labelled analogue of N-Boc-piperazine (B662000).

Suppliers12 total

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]

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