| CAS Number | 1354959-62-8 |
| Catalog Number | AG019QIG(AGN-PC-0WO9TG) |
| Chemical Name | tert-butyl N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]carbamate |
| InChI | InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-13-7-4-6-12-8-5-10-17-14(12)13/h4,6-7,17H,5,8-11H2,1-3H3,(H,18,19) |
| InChI Key | VOKKTZZZWMSKID-UHFFFAOYSA-N |
| MDL Number | MFCD20233669 |
| Molecular Formula | C16H24N2O2 |
| Molecular Weight | 276.3740 |
| SMILES | CC(OC(NCCC1=C2C(CCCN2)=CC=C1)=O)(C)C |
| Synonyms | tert-butyl N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]carbamate,
1354959-62-8,
ZINC71373209,
AKOS017526678,
MCULE-5256822111,
NE56882,
EN300-87722,
Z1735979558,
tert-butyl 2-(1,2,3,4-tetrahydroquinolin-8-yl)ethylcarbamate,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.38g/mol |
| Monoisotopic Mass | 276.184g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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