CAS No.115955-90-3,8-BROMO-2,3,4,9-TETRAHYDROCARBAZOL-1-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	115955-90-3
Name:	8-BROMO-2,3,4,9-TETRAHYDROCARBAZOL-1-ONE
Article Data:	2

Formula:	C₉H₁₂N₂
Molecular Weight:	148.208
Synonyms:	1,2,3,4-Tetrahydro-5-aminoisoquinoline;1,2,3,4-Tetrahydroisoquinolin-5-ylamine;5-Amino-1,2,3,4-tetrahydroisoquinoline;
Density:	1.636 g/cm³
Melting Point:	153-155 °C(lit.)
Boiling Point:	437.5 °C at 760 mmHg
Flash Point:	218.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	38.05000
LogP:	1.82450

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Specification

The 5-Isoquinolinamine,1,2,3,4-tetrahydro-, with the CAS registry number 115955-90-3, is also known as 5-Amino-1,2,3,4-tetrahydroisoquinoline. The molecular formula of this chemical is C₉H₁₂N₂ and the molecular weight is 264.12. What's more, its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-5-amine. And it belongs to the classes of Quinolines, Isoquinolines & Quinoxalines and Amines.

Physical properties about 5-Isoquinolinamine,1,2,3,4-tetrahydro- are: (1)ACD/LogP: 0.24; (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: 1; (10)Polar Surface Area: 38.05 Å²; (11)Index of Refraction: 1.6Molar ; (12)Refractivity: 46.011 cm³; (13)Molar Volume: 134.576 cm³; (14)Polarizability: 18.24 ×10^-24cm³; (15)Surface Tension: 46.882 dyne/cm; (16)Density: 1.101 g/cm³; (17)Flash Point: 164.526 °C; (18)Enthalpy of Vaporization: 55.029 kJ/mol; (19)Boiling Point: 309.528 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc2cccc1CNCCc12
(2)InChI: InChI=1/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2
(3)InChIKey: ZSHCQIHYOFRGNI-UHFFFAOYAR