| CAS Number | 885271-40-9 |
| Catalog Number | AG003ATG(AGN-PC-0HKZOD) |
| Chemical Name | tert-butyl 5-(aminomethyl)isoindoline-2-carboxylate |
| IUPAC Name | tert-butyl 5-(aminomethyl)-1,3-dihydroisoindole-2-carboxylate |
| InChI | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-11-5-4-10(7-15)6-12(11)9-16/h4-6H,7-9,15H2,1-3H3 |
| InChI Key | OGYVTVAVBOUPSP-UHFFFAOYSA-N |
| MDL Number | MFCD00053926 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | CC(OC(N1CC2=C(C=CC(=C2)CN)C1)=O)(C)C |
| Synonyms | 885271-40-9,
TERT-BUTYL 5-(AMINOMETHYL)ISOINDOLINE-2-CARBOXYLATE,
TERT-BUTYL 5-(AMINOMETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-2-CARBOXYLATE,
tert-butyl5-(aminomethyl)-2,3-dihydro-1h-isoindole-2-carboxylate,
SCHEMBL8921662,
CTK8E6449,
MFCD08234857,
ZINC83428811,
AKOS022191743,
MB05809,
NE33250,
TX-018002,
TERT-BUTYL5- ISOINDOLINE-2-CARBOXYLATE,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number