| CAS Number | 850875-62-6 |
| Catalog Number | AG00GLX4(AGN-PC-08Y029) |
| Chemical Name | 2',3'-Dihydro-1'H-spiro[cyclobutane-1,4'-isoquinoline] |
| IUPAC Name | spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane] |
| InChI | InChI=1S/C12H15N/c1-2-5-11-10(4-1)8-13-9-12(11)6-3-7-12/h1-2,4-5,13H,3,6-9H2 |
| InChI Key | SGMNNJVCACUQMU-UHFFFAOYSA-N |
| MDL Number | MFCD16294407 |
| Molecular Formula | C12H15N |
| Molecular Weight | 173.2542 |
| SMILES | C1CC2(C3=C(C=CC=C3)CNC2)C1 |
| Synonyms | 2',3'-dihydro-1'H-spiro[cyclobutane-1,4'-isoquinoline],
850875-62-6,
2',3'-dihydro-spiro[cyclobutane-1,4'(1'H)-isoquinoline],
SCHEMBL8279017,
DTXSID30679480,
MFCD16294407,
ZINC44138818,
AKOS006337068,
RL05262,
AJ-109439,
J-506992,
1159824-66-4,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.259g/mol |
| Monoisotopic Mass | 173.12g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number