| CAS Number | 1205748-73-7 |
| Catalog Number | AG00HFIG(AGN-PC-0WD76T) |
| Chemical Name | 1-BOC-4-(2-AMINOETHYL)AZEPANE |
| IUPAC Name | tert-butyl 4-(2-aminoethyl)azepane-1-carboxylate |
| InChI | InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-4-5-11(6-8-14)7-10-15/h11H,4-10,14H2,1-3H3 |
| InChI Key | KIWAXOBIGFPKSJ-UHFFFAOYSA-N |
| MDL Number | MFCD14582367 |
| Molecular Formula | C13H26N2O2 |
| Molecular Weight | 242.3577 |
| SMILES | CC(OC(N1CCC(CCN)CCC1)=O)(C)C |
| Synonyms | 1205748-73-7,
1-Boc-4-(2-aminoethyl)azepane,
tert-Butyl 4-(2-aminoethyl)azepane-1-carboxylate,
tert-butyl4-(2-aminoethyl)azepane-1-carboxylate,
SCHEMBL20660178,
KS-000005XQ,
MFCD14582367,
SB15570,
AS-51025,
CS-0048264,
F2167-7167,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.363g/mol |
| Monoisotopic Mass | 242.199g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number