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| CAS No.: | 879-36-7 |
|---|---|
| Name: | 3-(2-AMINOPROPYL)INDOLE MONOHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C11H14N2.HCl |
| Molecular Weight: | 174.2423 |
| Synonyms: | 1H-Indole-3-ethanamine,a-methyl-, monohydrochloride(9CI);Indole, 3-(2-aminopropyl)-, monohydrochloride (8CI);a-Methyltryptamine hydrochloride; |
| Melting Point: | 217 °C |
| Boiling Point: | 344.5 °C at 760 mmHg |
| Flash Point: | 189 °C |
| PSA: | 41.81000 |
| LogP: | 3.55990 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The 3-(2-Aminopropyl)indole monohydrochloride is an organic compound with the formula C11H14N2.HCl. The systematic name of this chemical is 1-(1H-indol-3-yl)propan-2-aminium chloride. With the CAS registry number 879-36-7, it is also named as Indole, 3-(2-aminopropyl)-, monohydrochloride. The product's category is Indole.
Physical properties about 3-(2-Aminopropyl)indole monohydrochloride are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): -1.37; (3)ACD/LogD (pH 7.4): -1.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 4.93 Å2; (12)Flash Point: 189 °C; (13)Enthalpy of Vaporization: 58.85 kJ/mol; (14)Boiling Point: 344.5 °C at 760 mmHg; (15)Vapour Pressure: 6.55E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1cccc2c1c(cn2)CC([NH3+])C
(2)InChI: InChI=1/C11H14N2.ClH/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;/h2-5,7-8,13H,6,12H2,1H3;1H
(3)InChIKey: SNEXLQZZENRCSB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H14N2.ClH/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;/h2-5,7-8,13H,6,12H2,1H3;1H
(5)Std. InChIKey: SNEXLQZZENRCSB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 137mg/kg (137mg/kg) | Pharmaceutical Chemistry Journal Vol. 16, Pg. 361, 1982. |