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CAS No.: | 58123-56-1 |
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Name: | C-ISOQUINOLIN-4-YL-METHYLAMINE |
Article Data: | 2 |
Molecular Structure: | |
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Formula: | C10H10N2 |
Molecular Weight: | 158.20 |
Synonyms: | c-Isoquinolin-4-yl-methylamine;1-(Isoquinolin-4-yl)methanamine;(Isoquinolin-4-yl)methanamine;4-(Aminomethyl)isoquinoline;MFCD06738934; |
Density: | 1.156 g/cm3 |
Melting Point: | 336.5 °C at 760 mmHg |
Boiling Point: | 177.9 °C |
Flash Point: | 177.9°C |
PSA: | 38.91000 |
LogP: | 2.39380 |
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The 4-Isoquinolinemethanamine with CAS registry number of 58123-56-1 is also known as 4-(Aminomethyl)isoquinoline. The IUPAC name is 1-(Isoquinolin-4-yl)methanamine. It belongs to product categories of Building Blocks; Isoquinoline. In addition, the formula is C10H10N2 and the molecular weight is 158.20.
Physical properties about 4-Isoquinolinemethanamine are: (1)ACD/LogP: 0.83; (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): 5.55; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.91Å2; (11)Index of Refraction: 1.662; (12)Molar Refractivity: 50.63 cm3; (13)Molar Volume: 136.7 cm3; (14)Polarizability: 20.07 ×10-24cm3; (15)Surface Tension: 54.2 dyne/cm; (16)Density: 1.156 g/cm3; (17)Flash Point: 177.9 °C; (18)Enthalpy of Vaporization: 57.96 kJ/mol; (19)Boiling Point: 336.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000112 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: NCc2cncc1ccccc12
2. InChI: InChI=1/C10H10N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H,5,11H2
3. InChIKey: ZTMHEIRKNHCJEG-UHFFFAOYAM
4. Std. InChI: InChI=1S/C10H10N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H,5,11H2
5. Std. InChIKey: ZTMHEIRKNHCJEG-UHFFFAOYSA-N