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7-Aminoisoquinoline

7-Aminoisoquinoline structure

CAS No:
23707-37-1
Formula:
C9H8N2
Chemical Name:
7-Aminoisoquinoline
Synonyms:
7-Isoquinolinamine(9CI);Isoquinolin-7-ylamine;7-amine-isoquinoline;7-Isoquinolinamine;7-Aminoisoquinoline;7-aminoisoquinoline ,97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Tan powder

7-Aminoisoquinoline Basic Attributes

Molecular Weight：

144.17

Exact Mass：

144.068741

DSSTox ID：

DTXSID80562696

HScode：

2933499090

Characteristics

PSA：

38.9

XLogP3：

1.6

Density：

1.2±0.1 g/cm3

Melting Point：

204 °C

Boiling Point：

343.1°C at 760 mmHg

Flash Point：

188.1±7.6 °C

Refractive Index：

1.708

Safety Information

safety instructions：

24/25

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

7-Aminoisoquinoline Use and Manufacturing

Synthesis of isoquinolin-7-amine (31-4) General procedure: An oven-dried Schlenk tube was charged with7(0.4 mmol), Pd2(dba)3(0.02 mmol), xantphos (0.04 mmol), t-BuONa (0.8 mmol), and amine (0.48 mmol), and then purged with argon three times. Ultra-dry dioxane (15 mL) was added to the Schlenk tube with a syringe at argon atmosphere. The mixture was stirred at 110 C overnight. After cooling to room temperature, the mixture was concentrated in vacuo and the residue purified by flash chromatography on silica gel using DCM/MeOH (100:1) as eluent to obtain9a-kand10a-s.

Computed Properties

Molecular Weight:144.17
XLogP3:1.6
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

Material

Hydrochloric acid

Sulfuric acid

Polyphosphoric acids

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7-Aminoisoquinoline

CAS No.: 23707-37-1

Content: 99.00%

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