| CAS Number | 1094628-11-1 |
| Catalog Number | AG01AAD9 |
| Chemical Name | 2-(3-ethoxypropyl)-2,3-dihydro-1H-isoindol-5-amine |
| IUPAC Name | 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine |
| InChI | InChI=1S/C13H20N2O/c1-2-16-7-3-6-15-9-11-4-5-13(14)8-12(11)10-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3 |
| InChI Key | NJNJHDULCWSORL-UHFFFAOYSA-N |
| MDL Number | MFCD11655064 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | CCOCCCN1CC2=C(C=CC(=C2)N)C1 |
| Synonyms | 2-(3-ethoxypropyl)-2,3-dihydro-1H-isoindol-5-amine,
1094628-11-1,
AC1Q387I,
ZINC36988176,
AKOS009391528,
MCULE-9177346187,
NE23827,
EN300-68261,
Z1263602428,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number