| CAS Number | 1554661-29-8 |
| Catalog Number | AG01AG2B |
| Chemical Name | {4-[2-(dimethylamino)ethyl]phenyl}methanamine |
| IUPAC Name | 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine |
| InChI | InChI=1S/C11H18N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-6H,7-9,12H2,1-2H3 |
| InChI Key | ODSFRAJKARZHQP-UHFFFAOYSA-N |
| MDL Number | MFCD27980661 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | CN(CCC1=CC=C(CN)C=C1)C |
| Synonyms | {4-[2-(dimethylamino)ethyl]phenyl}methanamine,
1554661-29-8,
4-(2-(Dimethylamino)ethyl)benzylamine,
4-[2-(Dimethylamino)ethyl]benzylamine,
Jsp004103,
ZINC96034474,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.279g/mol |
| Monoisotopic Mass | 178.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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