| CAS Number | 1421309-97-8 |
| Catalog Number | AG00HWC9(AGN-PC-0WG4TL) |
| Chemical Name | 6-Benzyl-2-Chloro-4-Methyl-5,6,7,8-Tetrahydro-1,6-Naphthyridine |
| IUPAC Name | 6-benzyl-2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridine |
| InChI | InChI=1S/C16H17ClN2/c1-12-9-16(17)18-15-7-8-19(11-14(12)15)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3 |
| InChI Key | NOWBMLIYMVDCEN-UHFFFAOYSA-N |
| MDL Number | MFCD27997375 |
| Molecular Formula | C16H17ClN2 |
| Molecular Weight | 272.7726 |
| SMILES | Clc1cc(C)c2c(n1)CCN(C2)Cc1ccccc1 |
| Synonyms | 6-Benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine,
1421309-97-8,
SCHEMBL14662843,
MFCD27997375,
ZINC146930385,
CS-0038642,
6-benzyl-2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridine,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.776g/mol |
| Monoisotopic Mass | 272.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 16.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number