| CAS Number | 360059-80-9 |
| Catalog Number | AG019EK9(AGN-PC-0BOUN5) |
| Chemical Name | Ethyl 2-aminohex-5-enoate |
| IUPAC Name | ethyl 2-aminohex-5-enoate |
| InChI | InChI=1S/C8H15NO2/c1-3-5-6-7(9)8(10)11-4-2/h3,7H,1,4-6,9H2,2H3 |
| InChI Key | LIQJLTLJINLIAF-UHFFFAOYSA-N |
| MDL Number | MFCD18910143 |
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.2102 |
| SMILES | NC(C(=O)OCC)CCC=C |
| Synonyms | ethyl 2-aminohex-5-enoate,
360059-80-9,
SCHEMBL10660324,
2-Amino-5-hexenoic acid ethyl ester,
MFCD18910143,
AKOS013637633,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.213g/mol |
| Monoisotopic Mass | 157.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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