| CAS Number | 1065608-51-6 |
| Catalog Number | AG00997R(AGN-PC-0WBRKJ) |
| Chemical Name | 1-Boc-azepane-4-methanol |
| IUPAC Name | tert-butyl 4-(hydroxymethyl)azepane-1-carboxylate |
| InChI | InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-14)6-8-13/h10,14H,4-9H2,1-3H3 |
| InChI Key | CMUYBJHYEACLSY-UHFFFAOYSA-N |
| MDL Number | MFCD18088895 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | O=C(N1CCC(CO)CCC1)OC(C)(C)C |
| Synonyms | tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate,
1065608-51-6,
1-BOC-AZEPANE-4-METHANOL,
tert-butyl (4R)-4-(hydroxymethyl)azepane-1-carboxylate,
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate,
SCHEMBL3600795,
CMUYBJHYEACLSY-UHFFFAOYSA-N,
MFCD18088895,
AKOS022186322,
SB11955,
KS-000004K7,
AS-34039,
CS-0047278,
N/A,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number