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