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Harmine hydrochloride

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Name

Harmine hydrochloride

EINECS 206-443-8
CAS No. 343-27-1 Density N/A
PSA 37.91000 LogP 3.83510
Solubility N/A Melting Point 265-270 °C
Formula C13H13ClN2O Boiling Point 421.4 °C at 760 mmHg
Molecular Weight 248.71 Flash Point 139.8 °C
Transport Information UN 1544 Appearance yellow to slightly green crystalline powder
Safety 22-36 Risk Codes 20/21/22-40
Molecular Structure Molecular Structure of 343-27-1 (Harmine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

9H-Pyrido[3,4-b]indole,7-methoxy-1-methyl-, monohydrochloride (8CI,9CI);7-Methoxy-1-methyl-9H-pyrido[3,4-b]indolemonohydrochloride;Harmine monohydrochloride;

 

Harmine hydrochloride Specification

The Harmine hydrochloride, with the CAS registry number of 343-27-1, is also known as 7-Methoxy-1-methyl-9H-pyrido(monohydrochloride) and Harminemonohydrochloride. It belongs to the product categories of Alkaloids; Biochemistry; Indole Alkaloids. Its EINECS registry number is 206-443-8. This chemical's molecular formula is C13H13ClN2O and molecular weight is 248.71. What's more, its IUPAC name is 7-Methoxy-1-methyl-9H-pyrido[3, 4-b]indole hydrochloride. This chemical's classification codes are Drug / Therapeutic Agent; Mutation Data.

Physical properties about Harmine hydrochloride are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.53; (7)ACD/KOC (pH 5.5): 4.79; (8)ACD/KOC (pH 7.4): 62.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Flash Point: 139.8 °C; (14)Enthalpy of Vaporization: 64.92 kJ/mol; (15)Boiling Point: 421.4 °C at 760 mmHg; (16)Vapour Pressure: 6.42E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O(c1ccc2c(c1)[nH+]c3c2ccnc3C)C
(2) InChI: InChI=1/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H
(3) InChIKey: VNPLYCKZIUTKJM-UHFFFAOYAE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 38mg/kg (38mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 79, Pg. 127, 1943.

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