| CAS Number | 869939-85-5 |
| Catalog Number | AG01AI6L(AGN-PC-0WO4RY) |
| Chemical Name | Methyl 1-(methylamino)cyclohexane-1-carboxylate |
| IUPAC Name | methyl 1-(methylamino)cyclohexane-1-carboxylate |
| InChI | InChI=1S/C9H17NO2/c1-10-9(8(11)12-2)6-4-3-5-7-9/h10H,3-7H2,1-2H3 |
| InChI Key | VVFFJVYBIIFJOA-UHFFFAOYSA-N |
| MDL Number | MFCD12150951 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | CNC1(C(OC)=O)CCCCC1 |
| Synonyms | methyl 1-(methylamino)cyclohexane-1-carboxylate,
869939-85-5,
SCHEMBL5526779,
ZINC37447927,
AKOS010002698,
NE23190,
|
| Complexity | 162 |
| 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 | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number