| CAS Number | 1214014-55-7 |
| Catalog Number | AG019USP |
| Chemical Name | N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride |
| IUPAC Name | N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride |
| InChI | InChI=1S/C14H21N3O.2ClH/c1-17(2)8-7-15-14(18)13-9-11-5-3-4-6-12(11)10-16-13;;/h3-6,13,16H,7-10H2,1-2H3,(H,15,18);2*1H |
| InChI Key | ORXPWPHKNKDXKH-UHFFFAOYSA-N |
| MDL Number | MFCD11857943 |
| Molecular Formula | C14H23Cl2N3O |
| Molecular Weight | 320.2579 |
| SMILES | Cl.Cl.CN(CCNC(C1NCC2=C(C=CC=C2)C1)=O)C |
| Synonyms | N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride,
1214014-55-7,
AC1Q3AHM,
CTK6I0892,
AKOS016905112,
MCULE-4723972452,
NE23935,
EN300-42707,
Z431996750,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.258g/mol |
| Monoisotopic Mass | 319.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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