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8-Methoxyisoquinoline

8-Methoxyisoquinoline structure

CAS No:
1723-70-2
Formula:
C10H9NO
Chemical Name:
8-Methoxyisoquinoline
Synonyms:
8-Methoxyisoquinoline;Isoquinoline, 8-methoxy- (7CI,8CI,9CI);8-Methoxyisoquinoline 96%;Isoquinoline,8-Methoxy-;8-Methoxy-2-azanaphthalene;8-Methoxyisoquinoline96%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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8-Methoxyisoquinoline Basic Attributes

Molecular Weight：

159.18456

Exact Mass：

159.068420

EC Number：

DSSTox ID：

DTXSID10474778

HScode：

2933499090

Characteristics

PSA：

22.1

XLogP3：

1.87

Density：

1.130±0.06 g/cm3(Predicted)

Melting Point：

48-51 °C(Solv: ethyl ether (60-29-7); pentane (109-66-0))

Boiling Point：

295.6±13.0 °C(Predicted)

Flash Point：

108.4±10.1 °C

Refractive Index：

1.611

Safety Information

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (50%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:159.18
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:22.1
Heavy Atom Count:12
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes