| CAS Number | 1094511-88-2 |
| Catalog Number | AG01C33Z |
| Chemical Name | ethyl[(3-methylfuran-2-yl)methyl]amine |
| IUPAC Name | N-[(3-methylfuran-2-yl)methyl]ethanamine |
| InChI | InChI=1S/C8H13NO/c1-3-9-6-8-7(2)4-5-10-8/h4-5,9H,3,6H2,1-2H3 |
| InChI Key | CLLFAGIGNWDHDI-UHFFFAOYSA-N |
| MDL Number | MFCD11212431 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| SMILES | CCNCC1=C(C)C=CO1 |
| Synonyms | ethyl[(3-methylfuran-2-yl)methyl]amine,
1094511-88-2,
ZINC36947830,
AKOS009344114,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number