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| CAS No.: | 113188-83-3 |
|---|---|
| Name: | 5-CHLORO-1H-INDOL-3-METHYLAMINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H9ClN2 |
| Molecular Weight: | 180.637 |
| Synonyms: | 5-Chloro-1H-indole-3-methanamine; |
| Density: | 1.349g/cm3 |
| Boiling Point: | 369.8 °C at 760 mmHg |
| Flash Point: | 177.4 °C |
| PSA: | 41.81000 |
| LogP: | 2.98030 |
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- Total:31 Page 1 of 1 1
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Specification
The 5-Chloro-1H-indole-3-methanamine with cas registry number of 113188-83-3, has the systematic name of 1-(5-chloro-1H-indol-3-yl)methanamine.
Physical properties about this chemical are: (1)ACD/LogP: 1.80; (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): 2.5; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.81 Å2; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 51.87 cm3; (13)Molar Volume: 133.8 cm3; (14)Polarizability: 20.56×10-24cm3; (15)Surface Tension: 60 dyne/cm; (16)Enthalpy of Vaporization: 61.66 kJ/mol; (17)Vapour Pressure: 1.16E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2CN;
(2)InChI: InChI=1/C9H9ClN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2;
(3)InChIKey: WZHCQPLLALCYQP-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C9H9ClN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2;
(5)Std. InChIKey: WZHCQPLLALCYQP-UHFFFAOYSA-N