| CAS Number | 824394-14-1 |
| Catalog Number | AG005B50(AGN-PC-0N2NOA) |
| Chemical Name | Ethyl 2-amino-5-methylhex-4-enoate |
| IUPAC Name | ethyl 2-amino-5-methylhex-4-enoate |
| InChI | InChI=1S/C9H17NO2/c1-4-12-9(11)8(10)6-5-7(2)3/h5,8H,4,6,10H2,1-3H3 |
| InChI Key | HFJGNSOJOMXZDI-UHFFFAOYSA-N |
| MDL Number | MFCD19661192 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | NC(C(=O)OCC)CC=C(C)C |
| Synonyms | ethyl 2-amino-5-methylhex-4-enoate,
824394-14-1,
4-Hexenoic acid, 2-amino-5-methyl-, ethyl ester,
SCHEMBL5142671,
CTK3D9724,
DTXSID60438148,
AKOS013465506,
DA-03093,
FT-0753275,
Ethyl 2-amino-5-methyl-hex-4-enoate,
CID10329753,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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