4-Isoquinolinemethanamine supplier

Name
C-ISOQUINOLIN-4-YL-METHYLAMINE
EINECS
CAS No. 58123-56-1
Article Data2
CAS DataBase
Density 1.156 g/cm³
Solubility
Melting Point 336.5 °C at 760 mmHg
Formula C₁₀H₁₀N₂
Boiling Point 177.9 °C
Molecular Weight 158.20
Flash Point 177.9°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms c-Isoquinolin-4-yl-methylamine;1-(Isoquinolin-4-yl)methanamine;(Isoquinolin-4-yl)methanamine;4-(Aminomethyl)isoquinoline;MFCD06738934;
PSA 38.91000
LogP 2.39380

4-Isoquinolinemethanamine Specification

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

Product Name

C-ISOQUINOLIN-4-YL-METHYLAMINE

4-Isoquinolinemethanamine Specification

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