| CAS Number | 1357280-81-9 |
| Catalog Number | AG00A05Q(AGN-PC-0WRA0Q) |
| Chemical Name | Ethyl 4-amino-1-methylcyclohexanecarboxylate |
| IUPAC Name | ethyl 4-amino-1-methylcyclohexane-1-carboxylate |
| InChI | InChI=1S/C10H19NO2/c1-3-13-9(12)10(2)6-4-8(11)5-7-10/h8H,3-7,11H2,1-2H3 |
| InChI Key | VCCAYWSDFKIZEF-UHFFFAOYSA-N |
| MDL Number | MFCD24644340 |
| Molecular Formula | C10H19NO2 |
| Molecular Weight | 185.2634 |
| SMILES | O=C(C1(C)CCC(N)CC1)OCC |
| Synonyms | Ethyl 4-amino-1-methylcyclohexanecarboxylate,
1357280-81-9,
ethyl 4-amino-1-methylcyclohexane-1-carboxylate,
1310478-78-4,
SCHEMBL1282951,
SCHEMBL12549888,
SCHEMBL16622563,
VCCAYWSDFKIZEF-UHFFFAOYSA-N,
Cyclohexanecarboxylicacid,4-amino-1-methyl-,ethylester,trans-,
MFCD24644340,
ZINC115741479,
Cyclohexanecarboxylic acid, 4-amino-1-methyl-, ethyl ester, trans-,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.267g/mol |
| Monoisotopic Mass | 185.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number