| CAS Number | 279-82-3 |
| Catalog Number | AG00J35E(AGN-PC-098JN6) |
| Chemical Name | rac-(1R,5S)-3-azabicyclo[3.2.1]octane |
| IUPAC Name | 3-azabicyclo[3.2.1]octane |
| InChI | InChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2 |
| InChI Key | CJQNJRRDTPULTL-UHFFFAOYSA-N |
| MDL Number | MFCD12198404 |
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1848 |
| SMILES | C12CNCC(CC1)C2 |
| Synonyms | 3-azabicyclo[3.2.1]octane,
279-82-3,
3-aza-bicyclo[3.2.1]octane,
AC1Q1HAM,
SCHEMBL27316,
3-azabicyclo[3.2.1]-octane,
CTK1A0910,
DTXSID90487422,
CJQNJRRDTPULTL-UHFFFAOYSA-N,
AKOS006351251,
MCULE-4832064037,
BS-12971,
EN300-89735,
3-Azatricyclo[3.2.1.02,4]octane,
3-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.188g/mol |
| Monoisotopic Mass | 111.105g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number