2-Propen-1-yl 2-cyanoacetate
Properties
- Molecular formula
- C6H7NO2
- Molar mass
- 125.13 g/mol
- Exact mass
- 125.0477 Da
- Boiling point
- 89–90 °C (at 3.8 Torr)
- logP
- 0.63Crippen estimate
- Polar surface area
- 50.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H312 Harmful in contact with skin71.4% of notifiers
- H315 Causes skin irritation73.2% of notifiers
- H319 Causes serious eye irritation73.2% of notifiers
- H332 Harmful if inhaled71.4% of notifiers
- H335 May cause respiratory irritation71.4% of notifiers
Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13361-32-5SMILES
C=CCOC(=O)CC#NInChIKey
WXKCRCGKCOKJEF-UHFFFAOYSA-NInChI
InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Acetic acid, 2-cyano-, 2-propen-1-yl ester
- Acetic acid, cyano-, allyl ester
- Acetic acid, cyano-, 2-propenyl ester
- Cyanoacetic acid allyl ester
- Allyl cyanoacetate
- Allyl 2-cyanoacetate
Work with 2-Propen-1-yl 2-cyanoacetate
Similar compounds
1,6-Di-2-propen-1-yl hexanedioate2998-04-155 % similar
Ethyl cyanoacetate105-56-653 % similar
Allyl propionate2408-20-053 % similar
2-Propen-1-yl 2-chloroacetate2916-14-553 % similar
2-Methoxyethyl cyanoacetate10258-54-550 % similar
Propyl cyanoacetate14447-15-550 % similar
Allyl butyrate2051-78-750 % similar
Allyl phenylacetate1797-74-649 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.