| CAS Number | 1152879-05-4 |
| Catalog Number | AG01A9HC(AGN-PC-0WO32Q) |
| Chemical Name | ethyl[(furan-3-yl)methyl]amine |
| IUPAC Name | N-(furan-3-ylmethyl)ethanamine |
| InChI | InChI=1S/C7H11NO/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3 |
| InChI Key | IDSQNSWWKTUGEP-UHFFFAOYSA-N |
| MDL Number | MFCD11105985 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.1683 |
| SMILES | CCNCC1=COC=C1 |
| Synonyms | ethyl(furan-3-ylmethyl)amine,
1152879-05-4,
3-Furanmethanamine, N-ethyl-,
AC1Q31LI,
SCHEMBL2717162,
ZINC34977662,
AKOS008124806,
MCULE-4701680449,
NE48146,
EN300-65109,
|
| Complexity | 75.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.171g/mol |
| Monoisotopic Mass | 125.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number