| CAS Number | 1032564-18-3 |
| Catalog Number | AG0095M4(AGN-PC-0WNGIP) |
| Chemical Name | N-acetic acid-1-aMino-3-adaMantanol |
| IUPAC Name | 2-[(3-hydroxy-1-adamantyl)amino]acetic acid |
| InChI | InChI=1S/C12H19NO3/c14-10(15)6-13-11-2-8-1-9(3-11)5-12(16,4-8)7-11/h8-9,13,16H,1-7H2,(H,14,15) |
| InChI Key | FSZTVAMKEHAGGP-UHFFFAOYSA-N |
| MDL Number | MFCD20278233 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | OC(=O)CNC12CC3CC(C1)CC(C2)(C3)O |
| Synonyms | 1032564-18-3,
2-((3-Hydroxyadamantan-1-yl)amino)acetic acid,
3-hydroxyadamantylglycine,
SCHEMBL160300,
N-acetic acid-1-aMino-3-adaMantanol,
AKOS030632921,
KS-00000U21,
AK607654,
DS-19753,
2-(3-hydroxyadamantan-1-ylamino)acetic acid,
CS-0060761,
3-Hydroxy-1-adamantyl-D-glycine,
3-hydroxyadamantan-1-ylamino)acetic acid,
N-(3-Hydroxy-adamantan-1-yl)glycine,
ACN-043770,
709031-29-8,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number