| CAS Number | 1421254-01-4 |
| Catalog Number | AG00HWC1(AGN-PC-0WG4TK) |
| Chemical Name | tert-Butyl 2-chloro-4-methyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate |
| IUPAC Name | tert-butyl 2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate |
| InChI | InChI=1S/C14H19ClN2O2/c1-9-7-12(15)16-11-5-6-17(8-10(9)11)13(18)19-14(2,3)4/h7H,5-6,8H2,1-4H3 |
| InChI Key | ITGZJJFPPBULFQ-UHFFFAOYSA-N |
| MDL Number | MFCD27997374 |
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.7659 |
| SMILES | ClC1=NC=2CCN(CC2C(=C1)C)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 2-chloro-4-methyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate,
1421254-01-4,
SCHEMBL14663062,
ITGZJJFPPBULFQ-UHFFFAOYSA-N,
MFCD27997374,
ZINC146980007,
CS-0038843,
t-Butyl 2-chloro-4-methyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate,
tert-butyl 2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.768g/mol |
| Monoisotopic Mass | 282.114g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number