| CAS Number | 865980-54-7 |
| Catalog Number | AG00GRMI(AGN-PC-00DFLV) |
| Chemical Name | (1S,3R,5S,7s)-methyl 4-aminoadamantane-1-carboxylate |
| IUPAC Name | methyl 4-aminoadamantane-1-carboxylate |
| InChI | InChI=1S/C12H19NO2/c1-15-11(14)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-10H,2-6,13H2,1H3 |
| InChI Key | IXBLQWDWMIYKKE-UHFFFAOYSA-N |
| MDL Number | MFCD23704384 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | NC1C2CC3(CC(CC1C3)C2)C(=O)OC |
| Synonyms | methyl 4-aminoadamantane-1-carboxylate,
4-amino-adamantane-1-carboxylic acid methyl ester,
865980-54-7,
SCHEMBL328838,
SCHEMBL12068577,
IXBLQWDWMIYKKE-UHFFFAOYSA-N,
4-amino-adamantan-1-carboxylic acid methyl ester,
4-aminoadamantane-1-carboxylic acid methyl ester,
4-Aminotricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number