| CAS Number | 1174020-26-8 |
| Catalog Number | AG000E8M(AGN-PC-0WD2O5) |
| Chemical Name | 1H-Azepine-1-carboxylic acid, 4-aminohexahydro-, 1,1-dimethylethyl ester, (4R)- |
| IUPAC Name | tert-butyl (4R)-4-aminoazepane-1-carboxylate |
| InChI | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1 |
| InChI Key | YCOKHOLOSGJEGL-SECBINFHSA-N |
| MDL Number | MFCD16294633 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.3046 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H](CC1)N |
| Synonyms | (R)-tert-butyl 4-aminoazepane-1-carboxylate,
1174020-26-8,
tert-butyl (4R)-4-aminoazepane-1-carboxylate,
SCHEMBL4171032,
DTXSID30652758,
MFCD16294633,
ZINC25336365,
FCH3038668,
AJ-81982,
AS-38698,
AB0078106,
AX8256976,
CS-0048517,
X-3074,
1H-Azepine-1-carboxylic acid, 4-aminohexahydro-, 1,1-dimethylethyl ester, (4R)-,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.309g/mol |
| Monoisotopic Mass | 214.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number