| CAS Number | 1951444-97-5 |
| Catalog Number | AG00I3CP(AGN-PC-0WQZWL) |
| Chemical Name | Bis(2,3-dihydro-1-benzofuran-5-ylmethyl)amine |
| IUPAC Name | 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanamine |
| InChI | InChI=1S/C18H19NO2/c1-3-17-15(5-7-20-17)9-13(1)11-19-12-14-2-4-18-16(10-14)6-8-21-18/h1-4,9-10,19H,5-8,11-12H2 |
| InChI Key | LYHOPKWSCHSGTN-UHFFFAOYSA-N |
| MDL Number | MFCD29764397 |
| Molecular Formula | C18H19NO2 |
| Molecular Weight | 281.3490 |
| SMILES | N(Cc1ccc2c(c1)CCO2)Cc1ccc2c(c1)CCO2 |
| Synonyms | Bis(2,3-dihydro-1-benzofuran-5-ylmethyl)amine,
1951444-97-5,
ZINC390824382,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.355g/mol |
| Monoisotopic Mass | 281.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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