| CAS Number | 356518-60-0 |
| Catalog Number | AG01ACSM |
| Chemical Name | benzyl(3,3-dimethylbutan-2-yl)amine |
| IUPAC Name | N-benzyl-3,3-dimethylbutan-2-amine |
| InChI | InChI=1S/C13H21N/c1-11(13(2,3)4)14-10-12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3 |
| InChI Key | GDVJAMSIPVNJFL-UHFFFAOYSA-N |
| MDL Number | MFCD20547703 |
| Molecular Formula | C13H21N |
| Molecular Weight | 191.3125 |
| SMILES | CC(C(C)(C)C)NCC1=CC=CC=C1 |
| Synonyms | benzyl(3,3-dimethylbutan-2-yl)amine,
356518-60-0,
AKOS033148359,
N-Benzyl-3,3-dimethylbutane-2-amine,
MCULE-3328825065,
NE46097,
F1967-9910,
Z1186061827,
N-benzyl-3,3-dimethyl-butan-2-amine,
CID11171515,
|
| Complexity | 151 |
| 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 | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number