| CAS Number | 776333-52-9 |
| Catalog Number | AG005SLR(AGN-PC-02PCVO) |
| Chemical Name | 2-(Quinolin-3-YL)ethanamine |
| IUPAC Name | 2-quinolin-3-ylethanamine |
| InChI | InChI=1S/C11H12N2/c12-6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,7-8H,5-6,12H2 |
| InChI Key | QECIVNFEWUNEPX-UHFFFAOYSA-N |
| MDL Number | MFCD08448798 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | NCCC1=CC2=C(C=CC=C2)N=C1 |
| Synonyms | 2-(QUINOLIN-3-YL)ETHANAMINE,
776333-52-9,
3-Quinolineethanamine,
2-(3-quinolyl)ethylamine,
2-Quinolin-3-ylethylamine,
SCHEMBL3638034,
CTK2H6077,
DTXSID10601209,
SBB079748,
ZINC38549192,
AKOS011895283,
AB45411,
2-(QUINOLIN-3-YL)ETHAN-1-AMINE,
AJ-96599,
SC-12796,
|
| Complexity | 158 |
| 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 | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number