| CAS Number | 945-80-2 |
| Catalog Number | AG01A1P8(AGN-PC-02INB1) |
| Chemical Name | n-(1,2,3,4-Tetrahydroquinolin-3-yl)acetamide |
| IUPAC Name | N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide |
| InChI | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14) |
| InChI Key | HCEIEGOMGWEGOJ-UHFFFAOYSA-N |
| MDL Number | MFCD09810049 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | CC(NC1CNC2=C(C=CC=C2)C1)=O |
| Synonyms | N-(1,2,3,4-TETRAHYDROQUINOLIN-3-YL)ACETAMIDE,
945-80-2,
3-acetamido-1,2,3,4-tetrahydroquinoline,
SCHEMBL4830429,
CTK6A1111,
HCEIEGOMGWEGOJ-UHFFFAOYSA-N,
AKOS000151613,
AKOS016902867,
MCULE-8417890481,
NE51845,
3(R,S)-methylcarbonylamino-1,2,3,4-tetrahydroquinoline,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number