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CAS No.: | 21109-27-3 |
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Name: | (5-CHLORO-1H-INDOL-2-YL)METHANAMINE |
Molecular Structure: | |
Formula: | C9H9ClN2 |
Molecular Weight: | 180.63 |
Synonyms: | C-(5-Chloro-1h-indol-2-yl)-methylamine; |
Density: | 1.349 g/cm3 |
Boiling Point: | 369.8 °C at 760 mmHg |
Flash Point: | 177.4 °C |
Hazard Symbols: | Xi |
PSA: | 41.81000 |
LogP: | 2.98030 |
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The (5-Chloro-indol-3-yl)methanamine, with the CAS registry number of 21109-27-3, is also known as C-(5-Chloro-1h-indol-2-yl)-methylamine. This chemical's molecular formula is C9H9ClN2 and molecular weight is 180.63. What's more, its systematic name is 1-(5-Chloro-1H-indol-2-yl)methanamine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about (5-Chloro-indol-3-yl)methanamine are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (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: 2; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 51.87 cm3; (15)Molar Volume: 133.8 cm3; (16)Polarizability: 20.56×10-24 cm3; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 177.4 °C; (20)Enthalpy of Vaporization: 61.66 kJ/mol; (21)Boiling Point: 369.8 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2c(cc1)nc(c2)CN
(2) InChI: InChI=1/C9H9ClN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2
(3) InChIKey: JPXQQXPBWCBYCW-UHFFFAOYAG