3-Butoxypropanenitrile
Properties
- Molecular formula
- C7H13NO
- Molar mass
- 127.19 g/mol
- Exact mass
- 127.0997 Da
- Density
- 0.86 g/mL
- Boiling point
- 170–172 °C (at 750 Torr)
- logP
- 1.72Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation95.2% of notifiers
- H335 May cause respiratory irritation92.9% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6959-71-3SMILES
CCCCOCCC#NInChIKey
AWVNJBFNHGQUQU-UHFFFAOYSA-NInChI
InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Propanenitrile, 3-butoxy-
- Propionitrile, 3-butoxy-
- 3-Butoxypropionitrile
- β-Butoxypropionitrile
- NSC 65452
Work with 3-Butoxypropanenitrile
Similar compounds
Bis(2-cyanoethyl) ether1656-48-064 % similar
Dibutyl ether142-96-159 % similar
Pentanenitrile110-59-858 % similar
3-Ethoxypropanenitrile2141-62-058 % similar
Glycol dibutyl ether112-48-157 % similar
Diethylene glycol dibutyl ether112-73-257 % similar
5,8,11,14,17-Pentaoxaheneicosane112-98-157 % similar
Hexanenitrile628-73-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.