| CAS Number | 132570-56-0 |
| Catalog Number | AG01D8SN(AGN-PC-0WOT44) |
| Chemical Name | (2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine |
| IUPAC Name | (2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine |
| InChI | InChI=1S/C11H15NO/c1-11(2)6-9-5-8(7-12)3-4-10(9)13-11/h3-5H,6-7,12H2,1-2H3 |
| InChI Key | TVVYGQVELAATAQ-UHFFFAOYSA-N |
| MDL Number | MFCD09971144 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | CC1(OC2=C(C1)C=C(C=C2)CN)C |
| Synonyms | (2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine,
132570-56-0,
SCHEMBL13156334,
ZINC19087624,
AKOS012574297,
CS-W004402,
Y-6059,
1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methanamine,
2,3-Dihydro-2,2-dimethyl-5-benzofuranmethanamine,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number