5-METHOXYGRAMINE

The IUPAC name of 5-Methoxygramine is 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine. With the CAS registry number 16620-52-3, it is also named as 3-(Dimethylaminomethyl)-5-methoxyindole. The product's categories are Indoles and Derivatives; Indoline & Oxindole; Heterocyclic Compounds. Besides, it is white to almost white crystalline powder, which should be closed in a cool and dry place at 4 °C. In addition, its molecular formula is C₁₂H₁₆N₂O and molecular weight is 204.27.

The other characteristics of this product can be summarized as: (1)EINECS: 240-669-8; (2)ACD/LogP: 1.82; (3)# of Rule of 5 Violations: 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.35; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 28.26 Å²; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 63.11 cm³; (14)Molar Volume: 182.4 cm³; (15)Polarizability: 25.01×10^-24cm³; (16)Surface Tension: 43.8 dyne/cm; (17)Density: 1.119 g/cm³; (18)Flash Point: 156.2 °C; (19)Melting Point: 123-126 °C; (20)Enthalpy of Vaporization: 57.77 kJ/mol; (21)Boiling Point: 334.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000126 mmHg at 25 °C.

Preparation of 5-Methoxygramine: this chemical can be prepared by the reaction of 5-methoxy-indole with dimethylamine and formaldehyde.



The yield is 78 %.

Uses of 5-Methoxygramine: it can react with nitromethane to get 5-methoxy-3-(2-nitro-ethyl)-indole.



This reaction needs NaOMe, Me₂SO₄ and methanol for 24 hours. The yield is 98 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also harmful if swallowed. Please do not breathe dust. And you should avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)SMILES: CN(C)Cc1cc2cc(ccc2n1)OC
(2)InChI: InChI=1/C12H16N2O/c1-14(2)8-10-6-9-7-11(15-3)4-5-12(9)13-10/h4-7,13H,8H2,1-3H3
(3)InChIKey: YSKVDCRGHJSLGZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H16N2O/c1-14(2)8-10-6-9-7-11(15-3)4-5-12(9)13-10/h4-7,13H,8H2,1-3H3
(5)Std. InChIKey: YSKVDCRGHJSLGZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	130mg/kg (130mg/kg)		Psychopharmacologia Vol. 16, Pg. 385, 1970.
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04863,