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Home > Encyclopedia > 3,3-Diethoxypropionitrile

3,3-Diethoxypropionitrile

3,3-Diethoxypropionitrile structure

3,3-Diethoxypropionitrile 

structure
  • CAS No:

    2032-34-0

  • Formula:

    C7H13NO2

  • Chemical Name:

    3,3-Diethoxypropionitrile

  • Synonyms:

    Propanenitrile,3,3-diethoxy-;Acetaldehyde,cyano-,diethyl acetal;3,3-Diethoxypropanenitrile;Malonaldehydenitrile diethyl acetal;3,3-Diethoxypropionitrile;Cyanoacetaldehyde diethylacetal

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

CLEAR YELLOW TO BROWNISH LIQUID

3,3-Diethoxypropionitrile Basic Attributes

143.18

143.18

217-988-6

DTXSID70174207

29269095

Characteristics

42.2

0.5

0.9496 g/cm3 @ Temp: 20 °C

82-84

99 °C @ Press: 14 Torr

183 °F

1.417

Store below +30°C.

Safety Information

I; II; III

3275

2

36/37/38

26-36

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,3-Diethoxypropionitrile Use and Manufacturing

3,3-Diethoxypropionitrile is a propionitrile derivative used in the preparation of various biologically active compounds such as p38α mitogen-activated protein kinase inhibitors.

Computed Properties

Molecular Weight:143.18
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:143.094628657
Monoisotopic Mass:143.094628657
Topological Polar Surface Area:42.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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