| CAS Number | 1213341-77-5 |
| Catalog Number | AG009G6M(AGN-PC-0WCU05) |
| Chemical Name | (4S)-7-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE |
| IUPAC Name | (4S)-7-methyl-3,4-dihydro-2H-chromen-4-amine |
| InChI | InChI=1S/C10H13NO/c1-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-3,6,9H,4-5,11H2,1H3/t9-/m0/s1 |
| InChI Key | VLFWKNOFAQNDID-VIFPVBQESA-N |
| MDL Number | MFCD09256269 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | Cc1ccc2c(c1)OCC[C@@H]2N |
| Synonyms | (S)-7-methylchroman-4-amine,
1213341-77-5,
(4S)-7-methyl-3,4-dihydro-2H-1-benzopyran-4-amine,
FCH866914,
MFCD09256269,
ZINC11849004,
AKOS017405190,
EBD2905261,
(4S)-3,4-Dihydro-7-methyl-2H-1-benzopyran-4-amine,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number