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1975-81-1
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Basic Information
CAS No.: 1975-81-1
Name: N-OMEGA-METHYLSEROTONIN OXALATE SALT
Molecular Structure:
Molecular Structure of 1975-81-1 (N-OMEGA-METHYLSEROTONIN OXALATE SALT)
Formula: C13H16N2O5
Molecular Weight: 280.2765
Synonyms: 5-Hydroxy-Nw-methyltryptamine oxalate;NSC91541;
Melting Point: 161-162 °C
Boiling Point: 402.6 °C at 760 mmHg
Flash Point: 197.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 122.65000
LogP: 1.18190
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Specification

The 1H-Indol-5-ol,3-[2-(methylamino)ethyl]-, ethanedioate (1:1), with the CAS registry number 1975-81-1, is also known as 5-Hydroxy-Nw-methyltryptamine oxalate. This chemical's molecular formula is C13H16N2O5 and molecular weight is 280.2765. What's more, its systematic name is called 3-[2-(Methylamino)ethyl]-1H-indol-5-ol ethanedioate (1:1).

Physical properties about 1H-Indol-5-ol,3-[2-(methylamino)ethyl]-, ethanedioate (1:1) are: (1)ACD/LogP: 0.35; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.4 Å2; (7)Flash Point: 197.3 °C; (8)Enthalpy of Vaporization: 67.92 kJ/mol; (9)Boiling Point: 402.6 °C at 760 mmHg; (10)Vapour Pressure: 4.66E-07 mmHg at 25 °C; (11)Melting Point: 161-162 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(=O)O.Oc1cc2c(cc1)ncc2CCNC
(2) InChI: InChI=1/C11H14N2O.C2H2O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;3-1(4)2(5)6/h2-3,6-7,12-14H,4-5H2,1H3;(H,3,4)(H,5,6)
(3) InChIKey: DYOZWAJOUTVNAF-UHFFFAOYAM