| CAS Number | 337915-57-8 |
| Catalog Number | AG00CMXJ(AGN-PC-0R9ARX) |
| Chemical Name | 1-(Quinolin-8-yl)ethan-1-amine |
| IUPAC Name | 1-quinolin-8-ylethanamine |
| InChI | InChI=1S/C11H12N2/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h2-8H,12H2,1H3 |
| InChI Key | JNGWMTGFGBBLEE-UHFFFAOYSA-N |
| MDL Number | MFCD17069603 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | CC(C1=C2C(C=CC=N2)=CC=C1)N |
| Synonyms | 1-(Quinolin-8-yl)ethanamine,
337915-57-8,
1-quinolin-8-yl-ethylamine,
8-(1-aminoethyl)quinoline,
(1-quinolin-8-ylethyl)amine,
SCHEMBL3926154,
JNGWMTGFGBBLEE-UHFFFAOYSA-N,
8-Quinolinemethanamine, alpha-methyl-,
AKOS006374062,
1-(QUINOLIN-8-YL)ETHAN-1-AMINE,
(R)-1-(QUINOLIN-8-YL)ETHAN-1-AMINE,
1213905-84-0,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.231g/mol |
| Monoisotopic Mass | 172.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number