| CAS Number | 886363-56-0 |
| Catalog Number | AG004A23(AGN-PC-0VMVEW) |
| Chemical Name | 6-Amino-2-ethyl-2-methyl-chroman-4-one |
| IUPAC Name | 6-amino-2-ethyl-2-methyl-3H-chromen-4-one |
| InChI | InChI=1S/C12H15NO2/c1-3-12(2)7-10(14)9-6-8(13)4-5-11(9)15-12/h4-6H,3,7,13H2,1-2H3 |
| InChI Key | MGMIRIXEBOIMGO-UHFFFAOYSA-N |
| MDL Number | MFCD07369809 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | O1C2=CC=C(C=C2C(CC1(C)CC)=O)N |
| Synonyms | 886363-56-0,
6-amino-2-ethyl-2-methyl-chroman-4-one,
6-Amino-2-ethyl-2-methylchroman-4-one,
CTK5G0975,
DTXSID10661363,
MFCD07369809,
AS-35705,
AX8038380,
RT-010530,
X-2046,
S14-2154,
6-amino-2-ethyl-2-methyl-chroman-4-one, AldrichCPR,
4H-1-Benzopyran-4-one,6-amino-2-ethyl-2,3-dihydro-2-methyl-,
6-Amino-2-ethyl-2-methyl-2,3-dihydro-4H-1-benzopyran-4-one,
6-amino-2-ethyl-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one,
A13886,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.257g/mol |
| Monoisotopic Mass | 205.11g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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