CAS No.830-94-4,5-CHLOROGRAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	830-94-4
Name:	5-CHLOROGRAMINE
Article Data:	11

Formula:	C₁₁H₁₃ClN₂
Molecular Weight:	208.69
Synonyms:	5-Chlorogramine;5-Chloro-3-[(dimethylamino)methyl]indole;
Density:	1.225 g/cm³
Boiling Point:	327.421 °C at 760 mmHg
Flash Point:	151.819 °C
PSA:	19.03000
LogP:	2.88290

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Specification

The 1H-Indole-3-methanamine,5-chloro-N,N-dimethyl-, with the CAS registry number 830-94-4, is also known as 5-Chlorogramine. This chemical's molecular formula is C₁₁H₁₃ClN₂ and molecular weight is 208.69. What's more, its systematic name is 1-(5-chloro-1H-indol-3-yl)-N,N-dimethylmethanamine.

Physical properties of 1H-Indole-3-methanamine,5-chloro-N,N-dimethyl- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 27; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 19.03 Å²; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 61.327 cm³; (14)Molar Volume: 170.4 cm³; (15)Polarizability: 24.312×10^-24cm³; (16)Surface Tension: 48.056 dyne/cm; (17)Density: 1.225 g/cm³; (18)Flash Point: 151.819 °C; (19)Enthalpy of Vaporization: 56.972 kJ/mol; (20)Boiling Point: 327.421 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Uses of 1H-Indole-3-methanamine,5-chloro-N,N-dimethyl-: it can be used to produce 5-chloro-3-(1H-imidazol-1-ylmethyl)-1H-indole by heating. This reaction will need solvent xylene with the reaction time of 3 hours. The yield is about 84%.

1H-Indole-3-methanamine,5-chloro-N,N-dimethyl- can be used to produce 5-chloro-3-(1H-imidazol-1-ylmethyl)-1H-indole by heating

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)Cc2cnc1ccc(Cl)cc12
(2)Std. InChI: InChI=1S/C11H13ClN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3
(3)Std. InChIKey: ILGPJIAGKMKHPE-UHFFFAOYSA-N