1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzoic acid;2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

2.1.2 InChI

InChI=1S/C13H18N2O.C7H6O2/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13;8-7(9)6-4-2-1-3-5-6/h4-5,8-9,14H,6-7H2,1-3H3;1-5H,(H,8,9)

2.1.3 InChI Key

ZDRGFCJVIIDWMH-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

MF2UDH4QUF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Mf2udh4quf

2. 282103-25-7

3. Refchem:1088895

4. 5-meo-dmt Benzoate

5. Methoxybufotenin Benzoate

6. Methylbufotenine Benzoate

7. Orb2814845

8. Schembl25329816

9. N,n-dimethyl-5-methoxytryptamine Benzoate

10. 1h-indole-3-ethanamine, 5-methoxy-n,n-dimethyl-, Monobenzoate

11. 1h-indole-3-ethanamine, 5-methoxy-n,n-dimethyl-, Benzoate (1:1)

2.4 Create Date

2010-03-15

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄N₂O₃
Molecular Weight	340.4 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	65.6
Heavy Atom Count	25
Formal Charge	0
Complexity	323
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Mebufotenin Benzoate