| CAS Number | 60175-04-4 |
| Catalog Number | AG00EEZ6(AGN-PC-043B70) |
| Chemical Name | Ethyl 2-(1-(aminomethyl)cyclohexyl)acetate hydrochloride |
| IUPAC Name | ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride |
| InChI | InChI=1S/C11H21NO2.ClH/c1-2-14-10(13)8-11(9-12)6-4-3-5-7-11;/h2-9,12H2,1H3;1H |
| InChI Key | UHYCAUUDSWTCMI-UHFFFAOYSA-N |
| MDL Number | MFCD10566332 |
| Molecular Formula | C11H22ClNO2 |
| Molecular Weight | 235.7509 |
| SMILES | Cl.CCOC(CC1(CCCCC1)CN)=O |
| Synonyms | 60175-04-4,
gabapentin ethyl ester hydrochloride,
ethyl 2-[1-(aminomethyl)cyclohexyl]acetate hydrochloride,
Ethyl 2-(1-(aminomethyl)cyclohexyl)acetate hydrochloride,
SCHEMBL6578159,
AKOS026743652,
NE58670,
ethyl 2-(1-(aminomethyl)cyclohexyl)acetate HCL,
(1-Aminomethyl-cyclohexyl)-acetic acid ethyl ester hydrochloride,
UHYCAUUDSWTCMI-UHFFFAOYSA-N,
138799-97-0,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.752g/mol |
| Monoisotopic Mass | 235.134g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number