| CAS Number | 78477-91-5 |
| Catalog Number | AG00ICY5(AGN-PC-0JMC5R) |
| Chemical Name | 8-Methyl-8-Azabicyclo[3.2.1]octan-2-one |
| IUPAC Name | 8-methyl-8-azabicyclo[3.2.1]octan-2-one |
| InChI | InChI=1S/C8H13NO/c1-9-6-2-4-7(9)8(10)5-3-6/h6-7H,2-5H2,1H3 |
| InChI Key | VIZAOHGVLPCBMA-UHFFFAOYSA-N |
| MDL Number | MFCD22415325 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| NSC Number | 359396 |
| SMILES | O=C1C(N2C)CCC2CC1 |
| Synonyms | 8-methyl-8-azabicyclo[3.2.1]octan-2-one,
78477-91-5,
Tropan-2-one,
NSC359396,
AC1L7N8W,
SCHEMBL1096051,
VIZAOHGVLPCBMA-UHFFFAOYSA-N,
NSC-359396,
PB35790,
SB20524,
KS-000007E8,
8-methyl-8-azabicyclo[3.2.1]octan-4-one,
CS-0049943,
8-Azabicyclo[3.2.1]octan-2-one,8-methyl-,
8-methyl-8-aza-bicyclo[3.2.1]octan-2-one,
8-Azabicyclo[3.2.1]octan-2-one, 8-methyl-,
Q-3773,
CID338156,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number