4,4-Dimethoxybutanenitrile
Properties
- Molecular formula
- C6H11NO2
- Molar mass
- 129.16 g/mol
- Exact mass
- 129.0790 Da
- Density
- 0.992 g/mL (at 23 °C)
- Boiling point
- 93 °C (at 17 Torr)
- logP
- 0.91Crippen estimate
- Polar surface area
- 42.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed95.2% of notifiers
- H312 Harmful in contact with skin95.2% of notifiers
- H332 Harmful if inhaled95.2% of notifiers
Aggregated from 42 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
14618-78-1SMILES
COC(CCC#N)OCInChIKey
XJHNCGVHPLDMRK-UHFFFAOYSA-NInChI
InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Butanenitrile, 4,4-dimethoxy-
- Succinaldehydonitrile, dimethyl acetal
- Butyronitrile, 4,4-dimethoxy-
- 4,4-Dimethoxybutyronitrile
- 3-Cyanopropionaldehyde dimethyl acetal
- β-Cyanopropionaldehyde dimethylacetal
- 3-Cyanopropanal dimethyl acetal
- 1,1-Dimethoxy-3-cyanopropane
Work with 4,4-Dimethoxybutanenitrile
Similar compounds
3,3-Dimethoxypropionitrile57597-62-358 % similar
2-Methylglutaronitrile4553-62-248 % similar
4-Methylpentanenitrile542-54-148 % similar
3-Methoxypropionitrile110-67-842 % similar
1,1,3-Trimethoxypropane14315-97-042 % similar
3-Bromo-1,1-dimethoxypropane36255-44-442 % similar
2,5-Dimethoxytetrahydrofuran696-59-342 % similar
4,4-Dimethoxy-1-butanamine19060-15-239 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.