| CAS Number | 1082041-25-5 |
| Catalog Number | AG01B596 |
| Chemical Name | [(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine |
| IUPAC Name | 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine |
| InChI | InChI=1S/C7H13NO/c1-8-5-7-3-2-4-9-6-7/h3,8H,2,4-6H2,1H3 |
| InChI Key | OFKZVKJRCBTJDW-UHFFFAOYSA-N |
| MDL Number | MFCD11007819 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | CNCC1COCCC=1 |
| Synonyms | [(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine,
1082041-25-5,
(5,6-dihydro-2H-pyran-3-ylmethyl)(methyl)amine,
ZINC42689574,
AKOS006305130,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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