| Identification | Back Directory | [Name]
(1-METHYL-1H-INDOL-5-YL)METHYLAMINE | [CAS]
884507-17-9 | [Synonyms]
(1-Methyl-1H-indol-5-yl)
5-Aminomethyl-1-methylindole
1H-Indole-5-methanamine, 1-methyl-
(1-Methyl-1H-indol-5-yl)methanamine
(1-METHYL-1H-INDOL-5-YL)METHYLAMINE
(1-methyl-1H-indol-5-yl)methanamine acetate
[(1-Methyl-1H-indol-5-yl)methyl]amine acetate | [Molecular Formula]
C10H12N2 | [MDL Number]
MFCD19104833 | [MOL File]
884507-17-9.mol | [Molecular Weight]
160.216 |
| Chemical Properties | Back Directory | [Melting point ]
55 °C | [Boiling point ]
319.4±17.0 °C(Predicted) | [density ]
1.11±0.1 g/cm3 (20 ºC 760 Torr) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
solid | [pka]
9.27±0.40(Predicted) | [Appearance]
Off-white to yellow Solid | [InChI]
1S/C10H12N2/c1-12-5-4-9-6-8(7-11)2-3-10(9)12/h2-6H,7,11H2,1H3 | [InChIKey]
XYCZKICJSDSNOW-UHFFFAOYSA-N | [SMILES]
Cn1ccc2cc(CN)ccc12 |
| Hazard Information | Back Directory | [Definition]
ChEBI: (1-Methyl-1H-indol-5-yl)methylamine is a member of indoles. | [Synthesis]
Step 2: 1-methyl-1H-indole-5-carbonitrile (800 mg, 5.12 mmol) was dissolved in a methanol solution of 7 M ammonia (50 mL) and Raney Ni (2.0 g) was added. The reaction mixture was stirred vigorously at room temperature for 18 h under hydrogen (1 atm) atmosphere. Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad and the filtrate was concentrated under vacuum to give 800 mg of (1-methyl-1H-indol-5-yl)methylamine (296), the product was a yellow oil. Mass spectrum (ESI) m/z = 144.3 [M-NH2]+. | [References]
[1] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3651 - 3660
[2] Patent: WO2013/26914, 2013, A1. Location in patent: Page/Page column 169
[3] Organic and Biomolecular Chemistry, 2013, vol. 11, # 36, p. 6003 - 6007 |
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