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| CAS No.: | 23687-25-4 |
|---|---|
| Name: | 4-Isoquinolinamine |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C9H8N2 |
| Molecular Weight: | 144.176 |
| Synonyms: | isoquinolin-4-amine; Isoquinolin-4-amine; |
| EINECS: | 245-823-8 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 108.0 to 112.0 °C |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 198.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26 |
| PSA: | 38.91000 |
| LogP: | 2.39820 |
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Specification
The 4-Isoquinolinamine, with the CAS registry number 23687-25-4, is also known as Isoquinoline, 4-amino-. It belongs to the product categories of Quinoline Series; Amines; Quinolines, Isoquinolines & Quinoxalines; Quinolines, Isoquinolines & Quinoxalines; Building Blocks; Isoquinoline. Its EINECS registry number is 245-823-8. This chemical's molecular formula is C9H8N2 and molecular weight is 144.17322. Its IUPAC name is called isoquinolin-4-amine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 4-Isoquinolinamine: (1)ACD/LogP: 1.21; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 1.19; (4)ACD/BCF (pH 5.5): 1.07; (5)ACD/BCF (pH 7.4): 4.7; (6)ACD/KOC (pH 5.5): 23.75; (7)ACD/KOC (pH 7.4): 103.98; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.708; (12)Molar Refractivity: 46.42 cm3; (13)Molar Volume: 119 cm3; (14)Surface Tension: 59.8 dyne/cm; (15)Density: 1.21 g/cm3; (16)Flash Point: 198.9 °C; (17)Enthalpy of Vaporization: 60.56 kJ/mol; (18)Boiling Point: 360 °C at 760 mmHg; (19)Vapour Pressure: 2.29E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=NC=C2N
(2)InChI: InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2
(3)InChIKey: ISIUXVGHQFJYHM-UHFFFAOYSA-N