| CAS Number | 67309-37-9 |
| Catalog Number | AG0062NP(AGN-PC-0TNWVQ) |
| Chemical Name | 3,3-dimethyl-1-phenylbutan-2-amine |
| IUPAC Name | 3,3-dimethyl-1-phenylbutan-2-amine |
| InChI | InChI=1S/C12H19N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3 |
| InChI Key | OTRQGAZWLJRILG-UHFFFAOYSA-N |
| MDL Number | MFCD12154101 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | CC(C(CC1=CC=CC=C1)N)(C)C |
| Synonyms | 3,3-dimethyl-1-phenylbutan-2-amine,
67309-37-9,
1-Phenyl-2-amino-3,3-dimethylbutane,
(Trimethylamphetamin),
AC1MW1H4,
alpha-tert-Butylphenethylamine,
SCHEMBL3843513,
CTK5C6021,
MCULE-6938750410,
NE51904,
EN300-83241,
3,3-dimethyl-1-phenyl-butan-2-amine,
CID3742016,
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| Complexity | 140 |
| 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 | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number