| CAS Number | 878630-84-3 |
| Catalog Number | AG00H0ZR(AGN-PC-0VHBVF) |
| Chemical Name | (S)-tert-Butyl 4-aminoazepane-1-carboxylate |
| IUPAC Name | tert-butyl (4S)-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-/m0/s1 |
| InChI Key | YCOKHOLOSGJEGL-VIFPVBQESA-N |
| MDL Number | MFCD16294632 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.3046 |
| SMILES | C(=O)(OC(C)(C)C)N1CC[C@H](CCC1)N |
| Synonyms | (S)-tert-butyl 4-aminoazepane-1-carboxylate,
878630-84-3,
tert-butyl (4S)-4-aminoazepane-1-carboxylate,
SCHEMBL4171034,
DTXSID90652759,
YCOKHOLOSGJEGL-VIFPVBQESA-N,
MFCD16294632,
ZINC25336369,
AKOS022185897,
FCH3038667,
AJ-81983,
AS-38697,
AB0078105,
AX8260839,
CS-0048513,
X-3073,
tert-butyl 4-aminoazepane-1-carboxylate,
196613-57-7,
|
| 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
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Certificate of Analysis
Lot Number