| CAS Number | 46246-91-7 |
| Catalog Number | AG00DB3B(AGN-PC-0J0Y4L) |
| Chemical Name | 6-Benzyl-2-oxa-6-azaspiro[3.3]heptane |
| IUPAC Name | 6-benzyl-2-oxa-6-azaspiro[3.3]heptane |
| InChI | InChI=1S/C12H15NO/c1-2-4-11(5-3-1)6-13-7-12(8-13)9-14-10-12/h1-5H,6-10H2 |
| InChI Key | TZPHFPFBMJKZRM-UHFFFAOYSA-N |
| MDL Number | MFCD12407094 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | C(C1=CC=CC=C1)N1CC2(COC2)C1 |
| Synonyms | 6-Benzyl-2-oxa-6-azaspiro[3.3]heptane,
46246-91-7,
2-Oxa-6-azaspiro[3.3]heptane, 6-(phenylmethyl)-,
CTK8C2424,
DTXSID00743627,
CS-B0205,
ANW-68374,
ZINC85223555,
AKOS016006978,
FCH1136483,
CS-13983,
AJ-127238,
AX8237606,
TC-157119,
ST24045121,
X6165,
2-Oxa-6-azaspiro[3.3]heptane,6-(phenylmethyl)-,
C12H15NO,
ACN-031732,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number