| CAS Number | 1019566-19-8 |
| Catalog Number | AG019LUJ |
| Chemical Name | butyl[1-(5-methylfuran-2-yl)ethyl]amine |
| IUPAC Name | N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine |
| InChI | InChI=1S/C11H19NO/c1-4-5-8-12-10(3)11-7-6-9(2)13-11/h6-7,10,12H,4-5,8H2,1-3H3 |
| InChI Key | AKZGSNHKFAIWDO-UHFFFAOYSA-N |
| MDL Number | MFCD11142495 |
| Molecular Formula | C11H19NO |
| Molecular Weight | 181.2747 |
| SMILES | CCCCNC(C1OC(C)=CC=1)C |
| Synonyms | BUTYL[1-(5-METHYLFURAN-2-YL)ETHYL]AMINE,
1019566-19-8,
AKOS000234683,
AKOS017278151,
EN300-32770,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.279g/mol |
| Monoisotopic Mass | 181.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number