Ethyl 3-aminocrotonate
Properties
- Molecular formula
- C6H11NO2
- Molar mass
- 129.16 g/mol
- Exact mass
- 129.0790 Da
- logP
- 0.41Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H314 Causes severe skin burns and eye damage96.3% of notifiers
- H318 Causes serious eye damage76.5% of notifiers
- H335 May cause respiratory irritation76.5% of notifiers
Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501
Identifiers
CAS number
626-34-6SMILES
CCOC(=O)/C=C(\C)/NInChIKey
YPMPTULBFPFSEQ-SNAWJCMRSA-NInChI
InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4+Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Ethyl 3-aminocrotonate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Ethyl 3,3-dimethylacrylate638-10-862 % similar
Ethyl 3,3-diethoxy-2-propenoate32002-24-759 % similar
Methyl 3-amino-2-butenoate14205-39-157 % similar
Ethyl 3-amino-4,4,4-trifluoro-2-butenoate372-29-254 % similar
Diethyl maleate141-05-954 % similar
Diethyl fumarate623-91-654 % similar
Ethyl 2-(oxetan-3-ylidene)acetate922500-91-253 % similar
Isopropyl β-aminocrotonate14205-46-052 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.