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CAS No.: | 14490-05-2 |
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Name: | 7-Methyltryptamine |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C11H14N2 |
Molecular Weight: | 174.246 |
Synonyms: | Indole,3-(2-aminoethyl)-7-methyl- (6CI,7CI,8CI);7-Methyltryptamine;NSC 91540; |
EINECS: | 238-498-9 |
Density: | 1.126 g/cm3 |
Melting Point: | 123-130 °C |
Boiling Point: | 349.2 °C at 760 mmHg |
Flash Point: | 192 °C |
Solubility: | Soluble in ethanol (5% w/v) |
Appearance: | Off-white crystalline powder |
PSA: | 41.81000 |
LogP: | 2.67780 |
7-methyltryptamine
Conditions | Yield |
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With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 99% |
With lithium aluminium tetrahydride In tetrahydrofuran |
2-(7-methyl-1H-indol-3-yl)acetonitrile
7-methyltryptamine
Conditions | Yield |
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With lithium aluminium tetrahydride |
3-(2-amino-ethyl)-7-methyl-indole-2-carboxylic acid
7-methyltryptamine
Conditions | Yield |
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With hydrogenchloride |
4-aminobutyrylaldehyde diethylacetal
2-methylphenylhydrazine
7-methyltryptamine
Conditions | Yield |
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With zinc(II) chloride |
7-methyl-1H-indole
7-methyltryptamine
Conditions | Yield |
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Multi-step reaction with 3 steps 1: POCl3 2: AcOH 3: LiAH4 / tetrahydrofuran View Scheme | |
Multi-step reaction with 3 steps 1.1: trichlorophosphate / 1.5 h / Cooling with ice 1.2: 20 °C / Cooling with ice 1.3: 1 h / 105 °C 2.1: ammonium acetate / Reflux 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere View Scheme | |
Multi-step reaction with 3 steps 1: diethyl ether / 18 h / 40 °C 2: ammonia / 1,4-dioxane / 20 °C 3: lithium aluminium tetrahydride / tetrahydrofuran / 18 h / Reflux View Scheme | |
Multi-step reaction with 3 steps 1.1: trichlorophosphate / 0.25 h / 0 °C / Inert atmosphere 1.2: 3.25 h / 0 - 20 °C / Inert atmosphere 1.3: 0.08 h / Reflux 2.1: ammonium acetate / 1.5 h / Reflux; Inert atmosphere 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 36 h / 0 - 20 °C / Inert atmosphere View Scheme |
7-methyl-1H-indole-3-carbaldehyde
7-methyltryptamine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: AcOH 2: LiAH4 / tetrahydrofuran View Scheme | |
Multi-step reaction with 2 steps 1: ammonium acetate / Reflux 2: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: ammonium acetate / 2 h / Reflux 2: lithium aluminium tetrahydride / tetrahydrofuran / 36 h / 0 - 20 °C / Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: ammonium acetate / 1.5 h / Reflux; Inert atmosphere 2: lithium aluminium tetrahydride / tetrahydrofuran / 36 h / 0 - 20 °C / Inert atmosphere View Scheme |
8-methyl-2,3,4,9-tetrahydro-β-carbolin-1-one
7-methyltryptamine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: aq.-ethanolic KOH 2: aqueous HCl View Scheme |
1-methyl-2-nitrobenzene
7-methyltryptamine
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: tetrahydrofuran / 1 h / -40 °C / Inert atmosphere 2.1: trichlorophosphate / 1.5 h / Cooling with ice 2.2: 20 °C / Cooling with ice 2.3: 1 h / 105 °C 3.1: ammonium acetate / Reflux 4.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere View Scheme |
2-(7-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
7-methyltryptamine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: ammonia / 1,4-dioxane / 20 °C 2: lithium aluminium tetrahydride / tetrahydrofuran / 18 h / Reflux View Scheme |
7-methyltryptamine
Conditions | Yield |
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With lithium aluminium tetrahydride In tetrahydrofuran for 18h; Reflux; |
The 7-Methyltryptamine, with the cas registry number 14490-05-2 and EINECS registry number 238-498-9, has the systematic name of 2-(7-methyl-1H-indol-3-yl)ethanamine. The molecular formula of the chemical is C11H14N2. The chemical belongs to the following product categories: Tryptamines; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles. What's meore, it should be stored at the temperature of -20°C.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 56.43 cm3; (15)Molar Volume: 154.6 cm3; (16)Polarizability: 22.37×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 192 °C; (20)Enthalpy of Vaporization: 59.37 kJ/mol; (21)Boiling Point: 349.2 °C at 760 mmHg; (22)Vapour Pressure: 4.77E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(c2c1c(cn2)CCN)C
(2)InChI: InChI=1/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3
(3)InChIKey: SGGBZKQTWMKXHD-UHFFFAOYAH
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intravenous | 63mg/kg (63mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12400, |