| CAS Number | 51938-17-1 |
| Catalog Number | AG00D907(AGN-PC-0LLW0P) |
| Chemical Name | N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID, METHYL ESTER |
| IUPAC Name | methyl 4-[methyl(nitroso)amino]butanoate |
| InChI | InChI=1S/C6H12N2O3/c1-8(7-10)5-3-4-6(9)11-2/h3-5H2,1-2H3 |
| InChI Key | YAYDTYCLARRGKS-UHFFFAOYSA-N |
| MDL Number | MFCD01320440 |
| Molecular Formula | C6H12N2O3 |
| Molecular Weight | 160.1711 |
| SMILES | CN(N=O)CCCC(OC)=O |
| Synonyms | methyl 4-[methyl(nitroso)amino]butanoate,
51938-17-1,
N-Nitroso-N-methyl-4-aminobutyric Acid Methyl Ester,
AC1NMV9G,
SCHEMBL19463272,
DTXSID40407872,
ZINC22065285,
AKOS006278967,
FT-0672966,
Methyl(3-carboxypropyl)nitrosamine Methyl Ester,
4-(Methylnitrosoamino)butanoic Acid Methyl Ester,
N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID, METHYL ESTER,
CID5057707,
Methyl 4-(methyl-nitroso-amino)butanoate,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.173g/mol |
| Monoisotopic Mass | 160.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number