| CAS Number | 1389441-76-2 |
| Catalog Number | AG019G9V(AGN-PC-0WCKNX) |
| Chemical Name | 3-Aza-Bicyclo[3.1.1]Heptan-6-Ol |
| IUPAC Name | 3-azabicyclo[3.1.1]heptan-6-ol |
| InChI | InChI=1S/C6H11NO/c8-6-4-1-5(6)3-7-2-4/h4-8H,1-3H2 |
| InChI Key | BOTJOIYABJNMEW-UHFFFAOYSA-N |
| MDL Number | MFCD19442695 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | OC1C2CNCC1C2 |
| Synonyms | 3-azabicyclo[3.1.1]heptan-6-ol,
3-Aza-bicyclo[3.1.1]heptan-6-ol,
1389441-76-2,
EN300-90206,
1240525-74-9,
AC1Q59SD,
SCHEMBL18381085,
CS-W000063,
FCH1120945,
3-Aza-bicyclo[3.1.1]heptan-6-ol-A13735,
Q-4165,
3-AZA-BICYCLO[3.1.1]HEPTAN-6-OL HYDROCHLORIDE,
|
| Complexity | 94.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number