4-Methyl-3-isoquinolinamine supplier

Name
3-Amino-4-methylisoquinoline
EINECS
CAS No. 7697-66-7
Article Data5
CAS DataBase
Density 1.169 g/cm³
Solubility
Melting Point 117-118℃
Formula C₁₀H₁₀N₂
Boiling Point 342.4 °C at 760 mmHg
Molecular Weight 158.203
Flash Point 187.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Isoquinolinamine, 4-methyl-;
PSA 38.91000
LogP 2.70660

4-Methyl-3-isoquinolinamine Specification

The 4-Methylisoquinolin-3-amine, with the CAS registry number of 7697-66-7, is also known as 3-Isoquinolinamine, 4-methyl-. Its molecular formula is C₁₀H₁₀N₂ and molecular weight is 158.199800. What's more, its IUPAC name is 4-Methylisoquinolin-3-amine.

Physical properties about the 4-Methylisoquinolin-3-amine are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 17.06; (6)ACD/BCF (pH 7.4): 33.01; (7)ACD/KOC (pH 5.5): 219.07; (8)ACD/KOC (pH 7.4): 423.79; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 51.24 cm³; (15)Molar Volume: 135.3 cm³; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.169 g/cm³; (18)Flash Point: 187.6 °C; (19)Enthalpy of Vaporization: 58.61 kJ/mol; (20)Boiling Point: 342.4 °C at 760 mmHg; (21)Vapour Pressure: 7.56E-05 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2,3-Diamino-4-methylisoquinolinium tosylate. This reaction needs reagent O-Tosylhydroxylamine. Meanwhile, it needs solvent CH₂Cl₂. The reaction temperature is 0 - 5 °C. The yield is about 67 %.

The 4-Methylisoquinolin-3-amine is used to produce 2,3-Diamino-4-methylisoquinolinium tosylate

You can still convert the following datas into molecular structure:
(1) SMILES: n2c(c(c1c(cccc1)c2)C)N
(2) InChI: InChI=1/C10H10N2/c1-7-9-5-3-2-4-8(9)6-12-10(7)11/h2-6H,1H3,(H2,11,12)
(3) InChIKey: DWLVOLHIRQSGOK-UHFFFAOYAN

Product Name

3-Amino-4-methylisoquinoline

4-Methyl-3-isoquinolinamine Specification

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