| CAS Number | 1099643-57-8 |
| Catalog Number | AG01A8U0(AGN-PC-0WO4I6) |
| Chemical Name | 2-butyl-2,3-dihydro-1H-isoindol-5-amine |
| IUPAC Name | 2-butyl-1,3-dihydroisoindol-5-amine |
| InChI | InChI=1S/C12H18N2/c1-2-3-6-14-8-10-4-5-12(13)7-11(10)9-14/h4-5,7H,2-3,6,8-9,13H2,1H3 |
| InChI Key | AZIHCNZTNDHDQH-UHFFFAOYSA-N |
| MDL Number | MFCD11655042 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.2847 |
| SMILES | CCCCN1CC2=C(C=CC(=C2)N)C1 |
| Synonyms | 2-butyl-2,3-dihydro-1H-isoindol-5-amine,
1099643-57-8,
AC1Q2WYQ,
ZINC36683452,
AKOS009390014,
NE23081,
EN300-62550,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.29g/mol |
| Monoisotopic Mass | 190.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number