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ISOQUINOLIN-3-AMINE

ISOQUINOLIN-3-AMINE structure

CAS No:
25475-67-6
Formula:
C9H8N2
Chemical Name:
ISOQUINOLIN-3-AMINE
Synonyms:
3-AMINOISOQUINOLINE;ISOQUINOLIN-3-AMINE;IFLAB-BB F2108-0097;Isoquinolin-3-amine, 95+%;3-Isoquinolinamine;Isoquinolin-3-ylaMine;25475-67-6(Isoquinolin-3-aMine);Isoquinolin-3-amine, 3-Amino-2-azanaphthalene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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ISOQUINOLIN-3-AMINE Basic Attributes

Molecular Weight：

144.17

Exact Mass：

144.068741

NSC Number：

218383

HScode：

2933499090

Characteristics

PSA：

38.9

XLogP3：

1.8

Density：

1.2±0.1 g/cm3

Melting Point：

154-156°C

Boiling Point：

331.2°C at 760 mmHg

Flash Point：

180.4±7.6 °C

Refractive Index：

1.708

Vapor Pressure：

0.000159mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36/37/39-24/25-37/39

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

ISOQUINOLIN-3-AMINE Use and Manufacturing

Isoquinolin-3-amine (300 mg, 2.08 mmol) was dissolved in acetonitrile. To the reaction mixture was added pyridine (0.20 mL, 2.50 mmol) and phenyl chloroformate (0.27 mL, 2.18 mmol), respectively and stirred at room temperature for 1 h. The reaction mixture was diluted with water and extracted with ethyl acetate. The organic layer was concentrated under reduced pressure. The crude was purified by column chromatography to give phenyl isoquinolin-3-ylcarbamate (456 mg, 83 percent).Isoquinolin-3-amine (300 mg, 2.08 mmol) was dissolved in acetonitrile. To the reaction mixture was added pyridine (0.20 mL, 2.50 mmol) and phenyl chloroformate (0.27 mL, 2.18 mmol), respectively and stirred at room temperature for 1 h. The reaction mixture was diluted with water and extracted with ethyl acetate. The organic layer was concentrated under reduced pressure. The crude was purified by column chromatography to give phenyl isoquinolin-3-ylcarbamate (456 mg, 83percent).

Computed Properties

Molecular Weight:144.17
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:144.068748264
Monoisotopic Mass:144.068748264
Topological Polar Surface Area:38.9
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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