(5-Chloro-indol-3-yl)methanamine supplier

Name
(5-CHLORO-1H-INDOL-2-YL)METHANAMINE
EINECS
CAS No. 21109-27-3
Density 1.349 g/cm³
Solubility
Melting Point
Formula C₉H₉ClN₂
Boiling Point 369.8 °C at 760 mmHg
Molecular Weight 180.63
Flash Point 177.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms C-(5-Chloro-1h-indol-2-yl)-methylamine;
PSA 41.81000
LogP 2.98030

(5-Chloro-indol-3-yl)methanamine Specification

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

Product Name

(5-CHLORO-1H-INDOL-2-YL)METHANAMINE

(5-Chloro-indol-3-yl)methanamine Specification

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