4-(piperazin-1-yl)-1H-indole

HCID 594590

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Basic information

CAS: 84807-09-0
Standard SMILES: c1cc(N2CCNCC2)c2cc[nH]c2c1
InChIKey: YZKSXUIOKWQABW-UHFFFAOYSA-N
Molecular formula: C12H15N3
Average molar mass: 201.27 g/mol
Monoisotopic mass: 201.12659748

Overview

structure in first source

Names & identifiers

Preferred name: 4-(piperazin-1-yl)-1H-indole
IUPAC: 4-piperazin-1-yl-1H-indole
English name: 4-(Piperazino)indole
Molecular formula: C12H15N3
Molecular weight: 201.27

Names & synonyms

4-(piperazin-1-yl)-1H-indoleRefChem:4386924-(1-Piperazinyl)-1H-indole84807-09-04-piperazin-1-yl-1H-indole4-Piperazino-1H-indole1H-Indole, 4-(1-piperazinyl)-MFCD00831776CHEMBL2002344-(1-piperazinyl)-1h-indole dihydrochloride1-(4-indolyl)piperazine4-(Piperazino)indole; 1-(4-Indolyl)piperazine Dihydrochloride;

Show more names

4-(Piperazino)indole4-(1-piperazinyl)-1h-indol

4-piperazinoindole4-piperazino-indole1H-indol-4-ylpiperazine1-(indol-4yl)piperazine4-(1-piperazinyl)indole1-(4-indolyl)-piperazine1-(indol-4-yl)piperazine1-(indol-4yl)-piperazine

Database identifiers

CAS: 84807-09-0
PubChem CID: 594590
DTXSID: DTXSID30233864
ChEMBL: CHEMBL200234
EC Number: 821-330-9
Nikkaji: J2.249.327B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 31.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Physicochemical properties

Melting point: 204 · 204-206°C
Boiling point: 421.5 · 421.5±25.0 °C(Predicted)
Density: 1.182 · 1.182±0.06 g/cm3(Predicted)
RTECS: 1302400 · NM1302400
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: soluble in DMSO, Water
pka: 18.78 · 18.78±0.30(Predicted)
form: Solid
CAS DataBase Reference: 84807 · 84807-09-0
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.