| CAS Number | 289656-94-6 |
| Catalog Number | AG019VG5(AGN-PC-0WO1AD) |
| Chemical Name | methyl 3-[(2-methylpropyl)amino]propanoate |
| IUPAC Name | methyl 3-(2-methylpropylamino)propanoate |
| InChI | InChI=1S/C8H17NO2/c1-7(2)6-9-5-4-8(10)11-3/h7,9H,4-6H2,1-3H3 |
| InChI Key | QLXUBTFTMFEBAD-UHFFFAOYSA-N |
| MDL Number | MFCD01475815 |
| Molecular Formula | C8H17NO2 |
| Molecular Weight | 159.2261 |
| SMILES | COC(CCNCC(C)C)=O |
| Synonyms | methyl 3-[(2-methylpropyl)amino]propanoate,
289656-94-6,
AC1Q444D,
SCHEMBL4806327,
CTK6J2502,
N-Isobutyl-beta-alanine methyl ester,
ZINC36379452,
AKOS005188331,
NE11871,
EN300-45152,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.229g/mol |
| Monoisotopic Mass | 159.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number