| CAS Number | 91475-74-0 |
| Catalog Number | AG01AAOL(AGN-PC-00LQ49) |
| Chemical Name | Benzyl(2,2-dimethylpropyl)amine |
| IUPAC Name | N-benzyl-2,2-dimethylpropan-1-amine |
| InChI | InChI=1S/C12H19N/c1-12(2,3)10-13-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3 |
| InChI Key | WWEAQWSEERPMNP-UHFFFAOYSA-N |
| MDL Number | MFCD12774343 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | CC(CNCC1=CC=CC=C1)(C)C |
| Synonyms | benzyl(2,2-dimethylpropyl)amine,
91475-74-0,
N-benzyl-2,2-dimethylpropan-1-amine,
AC1Q1MIV,
N-Neopentylbenzenemethaneamine,
SCHEMBL5461543,
ZINC37927707,
AKOS005294714,
MCULE-7059724813,
NE53321,
EN300-69161,
Z1163818509,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.291g/mol |
| Monoisotopic Mass | 177.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number