| CAS Number | 86014-80-4 |
| Catalog Number | AG00GZP7(AGN-PC-02K8WI) |
| Chemical Name | 3-Chloromethyl-1-azabicyclo[2.2.2]octane hydrochloride |
| EC Number | 289-128-8 |
| IUPAC Name | 3-(chloromethyl)-1-azabicyclo[2.2.2]octane;hydrochloride |
| InChI | InChI=1S/C8H14ClN.ClH/c9-5-8-6-10-3-1-7(8)2-4-10;/h7-8H,1-6H2;1H |
| InChI Key | HANURQCXXWCGHT-UHFFFAOYSA-N |
| MDL Number | MFCD09673407 |
| Molecular Formula | C8H15Cl2N |
| Molecular Weight | 196.1174 |
| SMILES | Cl.ClCC1CN2CCC1CC2 |
| Synonyms | 86014-80-4,
3-(chloromethyl)-1-azabicyclo[2.2.2]octane hydrochloride,
3-(Chloromethyl)quinuclidine hydrochloride,
3-(Chloromethyl)-1-azabicyclo(2.2.2)octane hydrochloride,
EINECS 289-128-8,
SCHEMBL2574358,
AKOS000425033,
OR315406,
1-Azabicyclo[2.2.2]octane, 3-(chloromethyl)-, hydrochloride,
C8H14ClN.ClH,
C8-H14-Cl-N.Cl-H,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.115g/mol |
| Monoisotopic Mass | 195.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number