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1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)-

1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)- structure

CAS No:
863399-52-4
Formula:
C9H13N3
Chemical Name:
1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)-
Synonyms:
1H-Imidazole-2-acetonitrile, 5-(1,1-dimethylethyl)-

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1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)- Basic Attributes

Molecular Weight：

163.22

Exact Mass：

163.110947427

Characteristics

PSA：

52.47000

XLogP3：

1.77328

Density：

1.060±0.06 g/cm3

Melting Point：

134-136 °C

Boiling Point：

365.3±25.0 °C(Predicted)

PKA：

13.03±0.10

Computed Properties

Molecular Weight:163.22
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.110947427
Monoisotopic Mass:163.110947427
Topological Polar Surface Area:52.5
Heavy Atom Count:12
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Imidazole-2-acetonitrile,5-(1,1-dimethylethyl)-

Basic Attributes
Characteristics
Computed Properties

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