| CAS Number | 649765-17-3 |
| Catalog Number | AG00EBDM(AGN-PC-0TEPQ6) |
| Chemical Name | cis-2-Amino-cyclooctanecarboxylic acid |
| IUPAC Name | (1R,2S)-2-aminocyclooctane-1-carboxylic acid |
| InChI | InChI=1S/C9H17NO2/c10-8-6-4-2-1-3-5-7(8)9(11)12/h7-8H,1-6,10H2,(H,11,12)/t7-,8+/m1/s1 |
| InChI Key | RNDBJXMOBPVFAS-SFYZADRCSA-N |
| MDL Number | MFCD08437545 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | N[C@H]1[C@@H](C(O)=O)CCCCCC1 |
| Synonyms | cis-2-Amino-cyclooctanecarboxylic acid,
649765-17-3,
(1R,2S)-2-Amino-cyclooctanecarboxylic acid,
522644-04-8,
SCHEMBL4490114,
CTK4J5682,
RNDBJXMOBPVFAS-SFYZADRCSA-N,
cis-2-aminocyclooctanecarboxylic acid,
MFCD08437545,
MFCD08437547,
ZINC25720374,
AKOS030531558,
RT-012041,
2beta-Aminocyclooctane-1beta-carboxylic acid,
T6598,
(1R,2S)-2-Amino-cyclooctane carboxylic acid,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number