| CAS Number | 1864003-51-9 |
| Catalog Number | AG00J2BD(AGN-PC-0WRAO6) |
| Chemical Name | tert-butyl rac-(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.0~2,6~]decane-4-carboxylate hydrochloride |
| IUPAC Name | tert-butyl (1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decane-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C13H22N2O2.ClH/c1-13(2,3)17-12(16)15-6-8-9(7-15)11-5-4-10(8)14-11;/h8-11,14H,4-7H2,1-3H3;1H/t8-,9+,10-,11+; |
| InChI Key | VVDCUGIMFJWEMQ-NIQYDHDSSA-N |
| MDL Number | MFCD28892053 |
| Molecular Formula | C13H23ClN2O2 |
| Molecular Weight | 274.7869 |
| SMILES | N1(C[C@H]2[C@H]([C@@H]3N[C@H]2CC3)C1)C(=O)OC(C)(C)C.Cl |
| Synonyms | 1864003-51-9,
tert-butyl rac-(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.0~2,6~]decane-4-carboxylate hydrochloride,
(3AR,4S,7R,7aS)-tert-butyl hexahydro-1H-4,7-epiminoisoindole-2(3H)-carboxylate hydrochloride,
MFCD28892053,
t-Butyl rac-(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.0(2,6)]decane-4-carboxylate hydrochloride,
N/A,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.789g/mol |
| Monoisotopic Mass | 274.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number