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Home > Encyclopedia > 3-Hydroxypentanedinitrile

3-Hydroxypentanedinitrile

3-Hydroxypentanedinitrile structure

3-Hydroxypentanedinitrile 

structure
  • CAS No:

    13880-89-2

  • Formula:

    C5H6N2O

  • Chemical Name:

    3-Hydroxypentanedinitrile

  • Synonyms:

    Pentanedinitrile,3-hydroxy-;Glutaronitrile,3-hydroxy-;3-Hydroxypentanedinitrile;3-Hydroxyglutaronitrile;1,3-Dicyano-2-hydroxypropane;1,3-Dicyano-2-propanol;NSC 625028

3-Hydroxypentanedinitrile Basic Attributes

110.11400

110.11

625028

DTXSID30326982

2926909090

Characteristics

67.81000

0.17466

1.808 g/cm3 @ Temp: 22 °C

202-203 °C @ Press: 11 Torr

203.5ºC

1.466

1.53E-08mmHg at 25°C

Safety Information

UN 3276

R20/21/22; R36/37/38

S26; S36/37/39

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1,3-dicyano-2-propanol

Computed Properties

Molecular Weight:110.11
XLogP3:-1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:110.048012819
Monoisotopic Mass:110.048012819
Topological Polar Surface Area:67.8
Heavy Atom Count:8
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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