| CAS Number | 1179695-25-0 |
| Catalog Number | AG01BI0R |
| Chemical Name | (3,3-dimethylbutyl)(2-phenylethyl)amine |
| IUPAC Name | 3,3-dimethyl-N-(2-phenylethyl)butan-1-amine |
| InChI | InChI=1S/C14H23N/c1-14(2,3)10-12-15-11-9-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3 |
| InChI Key | JLPKPANABCZMCC-UHFFFAOYSA-N |
| MDL Number | MFCD12797767 |
| Molecular Formula | C14H23N |
| Molecular Weight | 205.3391 |
| SMILES | CC(CCNCCC1=CC=CC=C1)(C)C |
| Synonyms | 3,3-dimethyl-N-phenethylbutan-1-amine,
1179695-25-0,
ZINC37488691,
AKOS009059018,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.345g/mol |
| Monoisotopic Mass | 205.183g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number