| CAS Number | 80110-35-6 |
| Catalog Number | AG00VRVR(AGN-PC-0WBQ2J) |
| Chemical Name | Methyl 3-aminoadamantane-1-carboxylate hydrochloride |
| IUPAC Name | methyl 3-aminoadamantane-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H19NO2.ClH/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11;/h8-9H,2-7,13H2,1H3;1H |
| InChI Key | GMXYKQPNBFHSEJ-UHFFFAOYSA-N |
| MDL Number | MFCD01826591 |
| Molecular Formula | C12H20ClNO2 |
| Molecular Weight | 245.7457 |
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)(C2)N.Cl |
| Synonyms | Methyl 3-aminoadamantane-1-carboxylate Hydrochloride,
80110-35-6,
AC1MEC8O,
SCHEMBL1578926,
CHEMBL3343845,
GMXYKQPNBFHSEJ-UHFFFAOYSA-N,
AKOS026676817,
VU0024117-2,
SR-01000213434,
methyl 3-amino-1-adamantanecarboxylate hydrochloride,
SR-01000213434-1,
F0035-0251,
3-amino-adamantane-1-carboxylic acid methyl ester HCl salt,
3-amino-adamantane-1-carboxylic acid methyl ester hydrochloride,
3-Aminoadamantane-1-carboxylic acid methyl ester hydrochloride,
CID2852886,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.747g/mol |
| Monoisotopic Mass | 245.118g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number