| CAS Number | 104177-54-0 |
| Catalog Number | AG01ACVY |
| Chemical Name | (2-Amino-1-phenylpropyl)dimethylamine |
| IUPAC Name | 1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine |
| InChI | InChI=1S/C11H18N2/c1-9(12)11(13(2)3)10-7-5-4-6-8-10/h4-9,11H,12H2,1-3H3 |
| InChI Key | LMTBPLOIFJDYEV-UHFFFAOYSA-N |
| MDL Number | MFCD16061675 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | CC(C(C1=CC=CC=C1)N(C)C)N |
| Synonyms | (2-amino-1-phenylpropyl)dimethylamine,
104177-54-0,
SCHEMBL19614378,
AKOS010878201,
NE15925,
|
| Complexity | 139 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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