| CAS Number | 167693-21-2 |
| Catalog Number | AG01ACUX(AGN-PC-0NF9R7) |
| Chemical Name | Benzyl(3,3-dimethylbutyl)amine |
| IUPAC Name | N-benzyl-3,3-dimethylbutan-1-amine |
| InChI | InChI=1S/C13H21N/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3 |
| InChI Key | ADGQLUSYEDVRNF-UHFFFAOYSA-N |
| MDL Number | MFCD12811516 |
| Molecular Formula | C13H21N |
| Molecular Weight | 191.3125 |
| SMILES | CC(CCNCC1=CC=CC=C1)(C)C |
| Synonyms | benzyl(3,3-dimethylbutyl)amine,
167693-21-2,
SCHEMBL13602556,
ZINC34622351,
AKOS009058773,
NE62675,
N-(3,3-Dimethylbutyl)benzenemethaneamine,
N-benzyl-3,3-dimethyl-butan-1-amine,
CID11063245,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.318g/mol |
| Monoisotopic Mass | 191.167g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number