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5-isocyanato-1-methylimidazole

5-isocyanato-1-methylimidazole structure

CAS No:
499770-99-9
Formula:
C5H5N3O
Chemical Name:
5-isocyanato-1-methylimidazole
Synonyms:
1-Methyl-1H-imidazol-5-yl isocyanate; 5-isocyanato-1-methyl-imidazole;

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5-isocyanato-1-methylimidazole Basic Attributes

Molecular Weight：

123.11300

Exact Mass：

123.043261792

DSSTox ID：

DTXSID00590476

Characteristics

PSA：

47.25000

XLogP3：

0.38740

Density：

1.22g/cm3

Melting Point：

40.5ºC

Boiling Point：

263.1ºC

Flash Point：

112.9ºC

Refractive Index：

1.584

Safety Information

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Computed Properties

Molecular Weight:123.11
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:123.043261792
Monoisotopic Mass:123.043261792
Topological Polar Surface Area:47.2
Heavy Atom Count:9
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-isocyanato-1-methylimidazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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