| CAS Number | 191287-06-6 |
| Catalog Number | AG00AOWL(AGN-PC-0N5QQQ) |
| Chemical Name | Methyl 3-amino-4-cyclohexylbenzoate |
| IUPAC Name | methyl 3-amino-4-cyclohexylbenzoate |
| InChI | InChI=1S/C14H19NO2/c1-17-14(16)11-7-8-12(13(15)9-11)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3 |
| InChI Key | YUKWCGFURYBCDB-UHFFFAOYSA-N |
| MDL Number | MFCD09833825 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | COC(=O)c1ccc(C2CCCCC2)c(N)c1 |
| Synonyms | 191287-06-6,
3-AMINO-4-CYCLOHEXYL-BENZOIC ACID METHYL ESTER,
Methyl 3-amino-4-cyclohexylbenzoate,
3-Amino-4-cyclohexylbenzoic acid methyl ester,
SCHEMBL3900393,
YUKWCGFURYBCDB-UHFFFAOYSA-N,
MFCD09833825,
ZINC22012342,
CS-0035721,
Methyl 3-amino-4-cyclohexyl-benzoate,
CID10513816,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number