| CAS Number | 1016796-75-0 |
| Catalog Number | AG019ULN(AGN-PC-0WO6JK) |
| Chemical Name | 2,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine |
| IUPAC Name | 2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine |
| InChI | InChI=1S/C11H17NO/c1-7-4-8-9(12)5-11(2,3)6-10(8)13-7/h4,9H,5-6,12H2,1-3H3 |
| InChI Key | RELXSYKVCJJEHC-UHFFFAOYSA-N |
| MDL Number | MFCD09936557 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC1OC2=C(C(CC(C2)(C)C)N)C=1 |
| Synonyms | 2,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine,
1016796-75-0,
AC1Q2O7E,
SCHEMBL18424510,
CTK6B6169,
AKOS000176394,
AKOS022473505,
MCULE-3904597083,
NE23516,
EN300-42051,
Z1259087075,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number