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Cas Database |
| Name |
4-(Piperazino)indole |
EINECS | N/A |
| CAS No. | 84807-09-0 | Density | 1.182 g/cm3 |
| PSA | 31.06000 | LogP | 1.97130 |
| Solubility | N/A | Melting Point |
204-206oC |
| Formula | C12H15 N3 | Boiling Point | 421.5 °C at 760 mmHg |
| Molecular Weight | 201.271 | Flash Point | 208.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-(1H-Indol-4-yl)piperazine;1-(4-Indolyl)piperazine; 4-(Piperazin-1-yl)-1H-indole; 4-(Piperazino)indole |
Article Data | 11 |
4-(Piperazino)indole Chemical Properties
IUPAC Name: 4-Piperazin-1-yl-1H-indole
Synonyms of 1H-Indole,4-(1-piperazinyl)- (CAS NO.84807-09-0): 4-(1-Piperazinyl)-1H-indole ; 4-(Piperazin-1-yl)-1H-indole
CAS NO: 84807-09-0
Molecular Formula: C12H15N3
Molecular Weight: 201.27
Molecular Structure: 
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 11.41 Å2
Index of Refraction: 1.65
Molar Refractivity: 62.08 cm3
Molar Volume: 170.1 cm3
Surface Tension: 51.2 dyne/cm
Density: 1.182 g/cm3
Flash Point: 208.7 °C
Enthalpy of Vaporization: 67.56 kJ/mol
Boiling Point: 421.5 °C at 760 mmHg
Vapour Pressure: 2.59E-07 mmHg at 25°C
Melting Point:204-206°C
Appearance: 1H-Indole,4-(1-piperazinyl)- (CAS NO.84807-09-0) is brown solid.
SMILES: c2c1c(cccc1nc2)N3CCNCC3 Copy
InChI: InChI=1/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2 Copy
InChIKey: YZKSXUIOKWQABW-UHFFFAOYAE
Std. InChI: InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2 Copy
Std. InChIKey: YZKSXUIOKWQABW-UHFFFAOYSA-N
Product Categories: Indole Derivatives
4-(Piperazino)indole Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 35mg/kg (35mg/kg) | United States Patent Document. Vol. 4459296, |
4-(Piperazino)indole Safety Profile
Risk Statements: 36/37/38
R36/37/38: 1H-Indole,4-(1-piperazinyl)- (CAS NO.84807-09-0) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
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