| CAS Number | 223700-11-6 |
| Catalog Number | AG01A13G(AGN-PC-0WCN3X) |
| Chemical Name | 2-Ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine |
| IUPAC Name | 2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine |
| InChI | InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3 |
| InChI Key | BQEJAFIVZNAXGW-UHFFFAOYSA-N |
| MDL Number | MFCD12821598 |
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.2581 |
| SMILES | NC1=C(CC2)C(CN2CC)=CC=C1 |
| Synonyms | 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine,
223700-11-6,
SCHEMBL6369712,
BQEJAFIVZNAXGW-UHFFFAOYSA-N,
ZINC38032531,
AKOS010246863,
MCULE-5776639419,
NE46203,
5-Amino-2-ethyl-1,2,3,4-tetrahydroisoquinoline,
F1967-1775,
Z1438447167,
4X3,
2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.263g/mol |
| Monoisotopic Mass | 176.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number