| CAS Number | 3222-61-5 |
| Catalog Number | AG00CLYY(AGN-PC-0AM3T9) |
| Chemical Name | Ethyl 3-aminopent-2-enoate |
| IUPAC Name | ethyl 3-aminopent-2-enoate |
| InChI | InChI=1S/C7H13NO2/c1-3-6(8)5-7(9)10-4-2/h5H,3-4,8H2,1-2H3 |
| InChI Key | ZRLNPHNIOXIZHR-UHFFFAOYSA-N |
| MDL Number | MFCD28666866 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | CC/C(N)=C/C(OCC)=O |
| Synonyms | ethyl 3-aminopent-2-enoate,
3222-61-5,
ZRLNPHNIOXIZHR-UHFFFAOYSA-N,
2-Pentenoic acid, 3-amino-, ethyl ester,
beta-amino-beta-ethylacrylic acid ethyl ester,
beta-ethyl-beta-aminoacrylic acid ethyl ester,
3-amino-pent-2-enoic acid ethyl ester,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.186g/mol |
| Monoisotopic Mass | 143.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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