Ethyl piperazine-1-acetate (HCID 207112)

Overview

Ethyl piperazinoacetate is an alpha-amino acid ester.

Names & identifiers

Preferred name: Ethyl piperazine-1-acetate
IUPAC: ethyl 2-piperazin-1-ylacetate
English name: 1-(Ethoxycarbonylmethyl)piperazine
Molecular formula: C8H16N2O2
Molecular weight: 172.22

Names & synonyms

40004-08-81-(Ethoxycarbonylmethyl)piperazineEthyl piperazine-1-acetateEINECS 254-745-3DTXSID30193070RefChem:596381DTXCID40115561254-745-3ethyl 2-(piperazin-1-yl)acetateEthyl 1-piperazineacetateEthyl piperazinoacetateethyl piperazin-1-ylacetate

Show more names

AKOS BC-0535AKOS BBS-00006885Ethyl 2-Piperazinoacetateethyl (1-piperazino)acetate

ethyl 2-piperazin-1-ylacetate1-Piperazineacetic acid, ethyl esterethyl 1-piperazinylacetateMFCD00040739ethyl (piperazin-1-yl)acetate2-(Piperazin-1-yl)acetic acid ethyl esterN-(ethoxycarbonylmethyl)piperazine2-(Piperazin-1-yl)-acetic acid ethyl ester

Database identifiers

CAS: 40004-08-8
PubChem CID: 207112
DTXSID: DTXSID30193070
ChEMBL: CHEMBL1221941
ChEBI: CHEBI:188584
EC Number: 254-745-3
Nikkaji: J261.498G

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 127 °C · 127°C 13mm
Density: 1.048 g/mL · 1.048 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.472
Flash point: 127 °C/13mm · 127°C/13mm
storage temp.: -20 °C · -20°C
solubility: Chloroform, Methanol
form: Oil
pka: 8.96 · 8.96±0.10(Predicted)
color: Clear
Water Solubility: Soluble in water, chloroform, and methanol.
Sensitive: Air Sensitive
BRN: 743260 · 743260
Major Application: peptide synthesis
InChI: 1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKey: MTFCXMJOGMHYAE-UHFFFAOYSA-N
SMILES: CCOC(=O)CN1CCNCC1
CAS DataBase Reference: 40004 · 40004-08-8(CAS DataBase Reference)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 2933599590 · 2933599590
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (88.6%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (88.6%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2933599590
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesN-(Ethoxycarbonylmethyl)piperazine is used in the preparation of aralkylpiperazine- and aryl-substituted hydrazines, particularly benzylpiperazineacetyl hydrazones of hydroxyaryl aldehydes, as selective inducers of apoptosis and activators of procaspases for use as anticancer agents.

Uses1-(ETHOXYCARBONYLMETHYL)PIPERAZINE is used in the preparation of aralkylpiperazine- and aryl-substituted hydrazines, particularly benzylpiperazineacetyl hydrazones of hydroxyaryl aldehydes, as selecti ve inducers of apoptosis and activators of procaspases for use as anticancer agents.