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Home > Encyclopedia > 1H-Imidazole-1-propanenitrile

1H-Imidazole-1-propanenitrile

1H-Imidazole-1-propanenitrile structure

1H-Imidazole-1-propanenitrile 

structure
  • CAS No:

    23996-53-4

  • Formula:

    C6H7N3

  • Chemical Name:

    1H-Imidazole-1-propanenitrile

  • Synonyms:

    1H-Imidazole-1-propanenitrile;Imidazole-1-propionitrile;1-Cyanoethylimidazole;1-(2-Cyanoethyl)imidazole;3-(Imidazol-1-yl)propionitrile;3-Imidazol-1-ylpropanenitrile

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1H-Imidazole-1-propanenitrile Basic Attributes

121.14 g/mol

121.14

607-301-1

DTXSID50339610

Characteristics

41.6 Ų

35-36 °C

145 °C @ Press: 0.5 Torr

Safety Information

|Warning|H302 (98.92%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 93 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:121.14
XLogP3:-0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:121.063997236
Monoisotopic Mass:121.063997236
Topological Polar Surface Area:41.6
Heavy Atom Count:9
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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