| CAS Number | 572881-32-4 |
| Catalog Number | AG019UCG(AGN-PC-0162E8) |
| Chemical Name | 4-({[2-(dimethylamino)ethyl]amino}methyl)benzonitrile |
| IUPAC Name | 4-[[2-(dimethylamino)ethylamino]methyl]benzonitrile |
| InChI | InChI=1S/C12H17N3/c1-15(2)8-7-14-10-12-5-3-11(9-13)4-6-12/h3-6,14H,7-8,10H2,1-2H3 |
| InChI Key | DWOXVBNFWCMWBV-UHFFFAOYSA-N |
| MDL Number | MFCD09731903 |
| Molecular Formula | C12H17N3 |
| Molecular Weight | 203.2835 |
| SMILES | CN(CCNCC1=CC=C(C#N)C=C1)C |
| Synonyms | 4-({[2-(dimethylamino)ethyl]amino}methyl)benzonitrile,
572881-32-4,
EN300-41243,
AC1Q3WV7,
CTK6I1032,
ZINC22173795,
AKOS000140176,
MCULE-3802063898,
NE21037,
Z123861406,
4-(([2-(dimethylamino)ethyl]amino)methyl)benzonitrile,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.289g/mol |
| Monoisotopic Mass | 203.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number