5-Isoquinolinamine,1,2,3,4-tetrahydro- supplier

Name
8-BROMO-2,3,4,9-TETRAHYDROCARBAZOL-1-ONE
EINECS
CAS No. 115955-90-3
Article Data2
CAS DataBase
Density 1.636 g/cm³
Solubility
Melting Point 153-155 °C(lit.)
Formula C₉H₁₂N₂
Boiling Point 437.5 °C at 760 mmHg
Molecular Weight 148.208
Flash Point 218.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2,3,4-Tetrahydro-5-aminoisoquinoline;1,2,3,4-Tetrahydroisoquinolin-5-ylamine;5-Amino-1,2,3,4-tetrahydroisoquinoline;
PSA 38.05000
LogP 1.82450

5-Isoquinolinamine,1,2,3,4-tetrahydro- 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

Product Name

8-BROMO-2,3,4,9-TETRAHYDROCARBAZOL-1-ONE

5-Isoquinolinamine,1,2,3,4-tetrahydro- Specification

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