| CAS Number | 917202-04-1 |
| Catalog Number | AG01F9E4(AGN-PC-3H49CB) |
| Chemical Name | Pentanoic acid methyl-(2-methylamino-ethyl)-amide |
| IUPAC Name | N-methyl-N-[2-(methylamino)ethyl]pentanamide |
| InChI | InChI=1S/C9H20N2O/c1-4-5-6-9(12)11(3)8-7-10-2/h10H,4-8H2,1-3H3 |
| InChI Key | HUGHLSZLUJKZGF-UHFFFAOYSA-N |
| MDL Number | MFCD08689642 |
| Molecular Formula | C9H20N2O |
| Molecular Weight | 172.2679 |
| SMILES | C(CCCC)(=O)N(C)CCNC |
| Synonyms | Pentanoic acid methyl-(2-methylamino-ethyl)-amide,
917202-04-1,
N-methyl-N-[2-(methylamino)ethyl]pentanamide,
SCHEMBL1835738,
DTXSID30630435,
MFCD08689642,
ZINC15443533,
AKOS013400858,
Pentanoic acid methyl-(2-methylamino-ethyl)-amide, 98% - 1G 1g,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.272g/mol |
| Monoisotopic Mass | 172.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number