Isopropyl β-aminocrotonate

C₇H₁₃NO₂CAS 14205-46-0143.19 g/mol

Open in Covalent MOL file

Alkene Ester Primary amine

Properties

Molecular formula: C₇H₁₃NO₂
Molar mass: 143.19 g/mol
Exact mass: 143.0946 Da
Boiling point: 80 °C (at 1 Torr)
logP: 0.80Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

14205-46-0

SMILES

CC(N)=CC(=O)OC(C)C

InChIKey

YCKAGGHNUHZKCL-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO2/c1-5(2)10-7(9)4-6(3)8/h4-5H,8H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

2-Butenoic acid, 3-amino-, 1-methylethyl ester
Crotonic acid, 3-amino-, isopropyl ester
Isopropyl 3-aminocrotonate
1-Methylethyl 3-amino-2-butenoate
1-Methylethyl 3-aminocrotonate
Isopropyl 3-amino-2-butenoate
3-Aminocrotonic acid isopropyl ester

Work with Isopropyl β-aminocrotonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3-amino-2-butenoate14205-39-157 % similar Ethyl β-aminocrotonate7318-00-552 % similar 4-Amino-3-penten-2-one1118-66-743 % similar Isopropyl acetate108-21-440 % similar Isopropyl cinnamate7780-06-538 % similar 2,5-Dimethyl-3(2H)furanone14400-67-038 % similar 5-Hydroxy-4-methyl-2(5H)-furanone40834-42-237 % similar Diisopropyl peroxydicarbonate105-64-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropionitrile2032-34-0 Dimethylaminoethyl acrylate2439-35-2 (αS)-α-Aminocyclopentaneacetic acid2521-84-8 (αR)-α-Aminocyclopentaneacetic acid2521-86-0

Elsewhere

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