| CAS Number | 229007-30-1 |
| Catalog Number | AG01C5QQ(AGN-PC-0163DG) |
| Chemical Name | 4-{[Methyl(propan-2-yl)amino]methyl}aniline |
| IUPAC Name | 4-[[methyl(propan-2-yl)amino]methyl]aniline |
| InChI | InChI=1S/C11H18N2/c1-9(2)13(3)8-10-4-6-11(12)7-5-10/h4-7,9H,8,12H2,1-3H3 |
| InChI Key | INJQJBXWIQJXNG-UHFFFAOYSA-N |
| MDL Number | MFCD09733286 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | CC(N(CC1=CC=C(N)C=C1)C)C |
| Synonyms | 4-{[methyl(propan-2-yl)amino]methyl}aniline,
229007-30-1,
SCHEMBL5204980,
CTK6A9354,
AKOS000139586,
N-(4-AMINOBENZYL)-N-ISOPROPYL-N-METHYLAMINE,
|
| Complexity | 137 |
| 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 | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number