| CAS Number | 1389264-36-1 |
| Catalog Number | AG0019V7(AGN-PC-0WCJQD) |
| Chemical Name | Methyl 3-Azabicyclo[3.1.1]Heptane-6-Carboxylate Hydrochloride |
| IUPAC Name | methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H13NO2.ClH/c1-11-8(10)7-5-2-6(7)4-9-3-5;/h5-7,9H,2-4H2,1H3;1H |
| InChI Key | XIISKEZBOHDVDM-UHFFFAOYSA-N |
| MDL Number | MFCD21647390 |
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.6553 |
| SMILES | O=C(C1C2CNCC1C2)OC.[H]Cl |
| Synonyms | METHYL 3-AZABICYCLO[3.1.1]HEPTANE-6-CARBOXYLATE HYDROCHLORIDE,
1389264-36-1,
Methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate HCl,
SCHEMBL15415253,
MFCD21647390,
AKOS025289850,
PB13987,
AS-34313,
AX8295933,
FT-0725437,
Q-4009,
3-Azabicyclo[3.1.1]heptane-6-carboxylic acid, methyl ester, hydrochloride (1:1),
1363381-51-4,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.655g/mol |
| Monoisotopic Mass | 191.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number