3,3-Dimethoxypropionitrile
Properties
- Molecular formula
- C5H9NO2
- Molar mass
- 115.13 g/mol
- Exact mass
- 115.0633 Da
- Boiling point
- 113–116 °C (at 25 Torr)
- logP
- 0.52Crippen estimate
- Polar surface area
- 42.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled42% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
57597-62-3SMILES
COC(CC#N)OCInChIKey
JYHSJQNYYLGMEI-UHFFFAOYSA-NInChI
InChI=1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Propanenitrile, 3,3-dimethoxy-
- Acetaldehyde, cyano-, dimethyl acetal
- 3,3-Dimethoxypropanenitrile
- 1-Cyano-2,2-dimethoxyethane
- β,β-Dimethoxypropionitrile
- 2-Cyano-1,1-dimethoxyethane
- Cyanoacetaldehyde dimethyl acetal
- 3,3-Dimethoxypropiononitrile
Work with 3,3-Dimethoxypropionitrile
Similar compounds
4,4-Dimethoxybutanenitrile14618-78-158 % similar
3,3-Diethoxypropiononitrile2032-34-052 % similar
Isovaleronitrile625-28-543 % similar
1,1,3,3-Tetramethoxypropane102-52-343 % similar
Methyl cyanoacetate105-34-039 % similar
Cyclopropylacetonitrile6542-60-539 % similar
2,5-Dimethoxytetrahydrofuran696-59-339 % similar
3-Hydroxypentanedinitrile13880-89-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.