| CAS Number | 1248355-64-7 |
| Catalog Number | AG01AIC3(AGN-PC-0WOB06) |
| Chemical Name | 2,2-Dimethyl-1-(5-methylfuran-2-yl)propan-1-amine |
| IUPAC Name | 2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine |
| InChI | InChI=1S/C10H17NO/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5-6,9H,11H2,1-4H3 |
| InChI Key | CLVKAYCRRLIBPY-UHFFFAOYSA-N |
| MDL Number | MFCD16087135 |
| Molecular Formula | C10H17NO |
| Molecular Weight | 167.2481 |
| SMILES | CC(C)(C(N)C1=CC=C(O1)C)C |
| Synonyms | 2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine,
1248355-64-7,
SCHEMBL12331427,
473733-30-1,
MFCD16087135,
AKOS010983090,
MCULE-9943202091,
NE56518,
EN300-77364,
Z1267882025,
(1R)-2,2-DIMETHYL-1-(5-METHYLFURAN-2-YL)PROPAN-1-AMINE,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.252g/mol |
| Monoisotopic Mass | 167.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number