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3-PHENYLISOQUINOLINE

3-PHENYLISOQUINOLINE structure

CAS No:
37993-76-3
Formula:
C15H11N
Chemical Name:
3-PHENYLISOQUINOLINE
Synonyms:
3-Phenylisoquinoline;Isoquinoline, 3-phenyl-;3-phenyl-isoquinoline;3-Phenylisoquinoline, 97%;MLS001361028;SCHEMBL729768;ISUPSL100485;CHEMBL1718052;CTK1B5250;DTXSID60346097
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-PHENYLISOQUINOLINE Basic Attributes

Molecular Weight：

205.25

Exact Mass：

205.08900

DSSTox ID：

DTXSID60346097

HScode：

2933499090

Characteristics

PSA：

12.9

XLogP3：

3.90180

Density：

1.127±0.06 g/cm3(Predicted)

Melting Point：

100-105°C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

22-24-38-41

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P312

Hazard Statements：

H302-H311-H315-H318

Computed Properties

Molecular Weight:205.25
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:205.089149355
Monoisotopic Mass:205.089149355
Topological Polar Surface Area:12.9
Heavy Atom Count:16
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes