| CAS Number | 1308384-29-3 |
| Catalog Number | AG00HS9L(AGN-PC-0WB601) |
| Chemical Name | Tert-butyl 4-(aminomethyl)-4-hydroxy-1-azepanecarboxylate |
| IUPAC Name | tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate |
| InChI | InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-4-5-12(16,9-13)6-8-14/h16H,4-9,13H2,1-3H3 |
| InChI Key | IXTYMZYBENRBEC-UHFFFAOYSA-N |
| MDL Number | MFCD18917060 |
| Molecular Formula | C12H24N2O3 |
| Molecular Weight | 244.3306 |
| SMILES | C(=O)(OC(C)(C)C)N1CCCC(CN)(O)CC1 |
| Synonyms | 1308384-29-3,
TERT-BUTYL 4-(AMINOMETHYL)-4-HYDROXY-1-AZEPANECARBOXYLATE,
ZX-CM008958,
MFCD18917060,
AKOS022980846,
FCH1621998,
PB11389,
AS-39744,
CS-0057472,
Q-1877,
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate,
2-[4-(1H-Imidazol-1-yl)butoxy]benzaldehyde hydrochloride,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.335g/mol |
| Monoisotopic Mass | 244.179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number