| CAS Number | 1392803-66-5 |
| Catalog Number | AG009VP9(AGN-PC-0WB2SI) |
| Chemical Name | Methyl 2-aza-bicyclo[2.1.1]hexane-1-carboxylate hydrochloride |
| IUPAC Name | methyl 2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H11NO2.ClH/c1-10-6(9)7-2-5(3-7)4-8-7;/h5,8H,2-4H2,1H3;1H |
| InChI Key | XHWZCUMKIYBLTF-UHFFFAOYSA-N |
| MDL Number | MFCD23106151 |
| Molecular Formula | C7H12ClNO2 |
| Molecular Weight | 177.6287 |
| SMILES | O=C(C1(C2)NCC2C1)OC.[H]Cl |
| Synonyms | 1392803-66-5,
methyl 2-azabicyclo[2.1.1]hexane-1-carboxylate hydrochloride,
Methyl 2-aza-bicyclo[2.1.1]hexane-1-carboxylate hydrochloride,
Methyl 2-aza-bicyclo[2.1.1]hexane-1-carboxylate HCl,
KS-00002BG3,
MFCD23106151,
AKOS025395315,
PB39107,
SS-4933,
CS-0057641,
Q-4843,
Z2515207572,
2-Aza-bicyclo[2.1.1]hexane-1-carboxylic acid methyl ester hydrochloride,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.628g/mol |
| Monoisotopic Mass | 177.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number