| CAS Number | 1137213-00-3 |
| Catalog Number | AG019SXJ(AGN-PC-0WODQG) |
| Chemical Name | methyl 3-[(oxan-4-yl)amino]propanoate |
| IUPAC Name | methyl 3-(oxan-4-ylamino)propanoate |
| InChI | InChI=1S/C9H17NO3/c1-12-9(11)2-5-10-8-3-6-13-7-4-8/h8,10H,2-7H2,1H3 |
| InChI Key | PGIDVGDAPLULBT-UHFFFAOYSA-N |
| MDL Number | MFCD12087741 |
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.2362 |
| SMILES | COC(CCNC1CCOCC1)=O |
| Synonyms | methyl 3-[(oxan-4-yl)amino]propanoate,
1137213-00-3,
Methyl 3-((tetrahydro-2H-pyran-4-yl)amino)propanoate,
SCHEMBL1203211,
ZINC36304632,
AKOS009623101,
MCULE-4160290559,
NE28800,
Methyl 3-(tetrahydro-2H-pyran-4-ylamino)propanoate,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.239g/mol |
| Monoisotopic Mass | 187.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number