3-Amino-2-ethylacrolein

HCID 643943

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Basic information

CAS: 30989-82-3
Standard SMILES: CC/C(C=O)=C/N
InChIKey: IWAPFSLIJDJZND-HYXAFXHYSA-N
Molecular formula: C5H9NO
Average molar mass: 99.13 g/mol
Monoisotopic mass: 99.06841391

Names & identifiers

Preferred name: 3-Amino-2-ethylacrolein
IUPAC: (2Z)-2-(aminomethylidene)butanal

Names & synonyms

3-Amino-2-ethylacrolein30989-82-3(2Z)-2-(aminomethylidene)butanal(2Z)-2-(aminomethylene)butanalDTXSID10349235AKOS006341426butanal, 2-(aminomethylene)-, (2Z)-InChI=1/C5H9NO/c1-2-5(3-6)4-7/h3-4H,2,6H2,1H3/b5-3

Database identifiers

CAS: 30989-82-3
PubChem CID: 643943
DTXSID: DTXSID10349235

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 86.1

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