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Home > Encyclopedia > β-Oxo-1-pyrrolidinepropanenitrile

β-Oxo-1-pyrrolidinepropanenitrile

β-Oxo-1-pyrrolidinepropanenitrile structure

β-Oxo-1-pyrrolidinepropanenitrile 

structure
  • CAS No:

    14227-95-3

  • Formula:

    C7H10N2O

  • Chemical Name:

    β-Oxo-1-pyrrolidinepropanenitrile

  • Synonyms:

    1-Pyrrolidinepropanenitrile,β-oxo-;Pyrrolidine,1-(cyanoacetyl)-;β-Oxo-1-pyrrolidinepropanenitrile;Cyanoacetic acid pyrrolidide;1-(2-Cyanoacetyl)pyrrolidine;1-(Cyanoacetyl)pyrrolidine;NSC 102766;3-Oxo-3-(1-pyrrolidinyl)propanenitrile;3-Oxo-3-tetrahydro-1H-pyrrol-1-ylpropanenitrile

β-Oxo-1-pyrrolidinepropanenitrile Basic Attributes

138.17

138.17

238-096-3

102766

DTXSID90161992

2933990090

Characteristics

44.10000

0.46038

1.142g/cm3

74-75 °C @ Solvent: Ethyl acetate

313.9ºC at 760mmHg

143.7ºC

1.503

0.000481mmHg at 25°C

Safety Information

III

6.1

3276

20/21/22

23-36/37/39

Xi

|Warning|H302 (100%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:138.17
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.079312947
Monoisotopic Mass:138.079312947
Topological Polar Surface Area:44.1
Heavy Atom Count:10
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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