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| CAS No.: | 19293-60-8 |
|---|---|
| Name: | (1-Methyl-1H-indol-3-yl)-methylamine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H12N2 |
| Molecular Weight: | 160.219 |
| Synonyms: | Indole,3-(aminomethyl)-1-methyl- (7CI,8CI); |
| Density: | 1.11 g/cm3 |
| Boiling Point: | 319.4 °C at 760 mmHg |
| Flash Point: | 147 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 30.95000 |
| LogP: | 2.33730 |
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Specification
The 1H-Indole-3-methanamine,1-methyl-, with the CAS registry number 19293-60-8, is also known as Indole,3-(aminomethyl)-1-methyl- (7CI,8CI). This chemical's molecular formula is C10H12N2 and molecular weight is 160.21568. What's more, its systematic name and its IUPAC name are the same which is called 1-(1-Methyl-1H-indol-3-yl)methanamine.
Physical properties about 1H-Indole-3-methanamine,1-methyl-: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -0.95; (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: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 49.21 cm3; (15)Molar Volume: 143.1 cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.11 g/cm3; (18)Flash Point: 147 °C; (19)Enthalpy of Vaporization: 56.1 kJ/mol; (20)Boiling Point: 319.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000339 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc2c1c(cn2C)CN
(2) InChI: InChI=1/C10H12N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,6,11H2,1H3
(3) InChIKey: NOFZMDGMQKRLIV-UHFFFAOYAG