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CAS No.: | 16176-73-1 |
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Name: | 1H-Indole-4-ethanamine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H12N2 |
Molecular Weight: | 160.219 |
Synonyms: | Indole,4-(2-aminoethyl)- (8CI);2-(1H-Indol-4-yl)ethylamine;4-(2-Aminoethyl)indole; |
Density: | 1.157 g/cm3 |
Boiling Point: | 342.5 °C at 760 mmHg |
Flash Point: | 187.7 °C |
PSA: | 41.81000 |
LogP: | 2.36940 |
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The 1H-Indole-4-ethanamine with the CAS number 16176-73-1 is also called Indole,4-(2-aminoethyl)- (8CI). The systematic name is 2-(1H-indol-4-yl)ethanamine. Its molecular formula is C10H12N2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1H-Indole-4-ethanamine are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 41.81 Å2; (11)Index of Refraction: 1.668; (12)Molar Refractivity: 51.61 cm3; (13)Molar Volume: 138.3 cm3; (14)Polarizability: 20.46×10-24cm3; (15)Surface Tension: 54.7 dyne/cm; (16)Enthalpy of Vaporization: 58.62 kJ/mol; (17)Vapour Pressure: 7.51×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCCc1cccc2nccc12
(2)InChI: InChI=1/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
(3)InChIKey: XBARKDQKGSJDLG-UHFFFAOYAO