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CAS No.: | 56644-28-1 |
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Name: | 7-METHYLTRYPTAMINE, OXALATE SALT |
Molecular Structure: | |
Formula: | C13H16N2O4 |
Molecular Weight: | 264.28 |
Synonyms: | 7-METHYLTRYPTAMINE HYDROGENOXALATE;7-METHYLTRYPTAMINE, OXALATE SALT;7-MethyltryptamineOxalate,>95% |
Boiling Point: | 563 °C at 760 mmHg |
Flash Point: | 294.3 °C |
PSA: | 116.41000 |
LogP: | 1.83340 |
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This chemical is called 7-Methyltryptamine Oxalate, and its systematic name is 2-(7-methylindol-3-yl)ethylammonium; oxalate. With the molecular formula of C13H16N2O4, its molecular weight is 264.28. The CAS registry number of this chemical is 56644-28-1.
Other characteristics of the 7-Methyltryptamine Oxalate can be summarised as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 107.9 Å2; (7)Flash Point: 294.3 °C; (8)Enthalpy of Vaporization: 89.04 kJ/mol; (9)Boiling Point: 563 °C at 760 mmHg; (10)Vapour Pressure: 1.63E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-]C(=O)C([O-])=O.Cc2cccc1c2[nH+]cc1CC[NH3+]
2.InChI: InChI=1/C11H14N2.C2H2O4/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;3-1(4)2(5)6/h2-4,7,13H,5-6,12H2,1H3;(H,3,4)(H,5,6)/q+1;/p-1
3.InChIKey: TXLNFJIUCIXCJS-REWHXWOFAF