| CAS Number | 32560-62-6 |
| Catalog Number | AG01A3SD(AGN-PC-0R7USR) |
| Chemical Name | 1-[4-(propan-2-yl)phenyl]propan-2-amine |
| IUPAC Name | 1-(4-propan-2-ylphenyl)propan-2-amine |
| InChI | InChI=1S/C12H19N/c1-9(2)12-6-4-11(5-7-12)8-10(3)13/h4-7,9-10H,8,13H2,1-3H3 |
| InChI Key | CORKPPLFQPYRLN-UHFFFAOYSA-N |
| MDL Number | MFCD08452703 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | CC(C1=CC=C(CC(N)C)C=C1)C |
| Synonyms | 1-[4-(PROPAN-2-YL)PHENYL]PROPAN-2-AMINE,
32560-62-6,
Benzeneethanamine, alpha-methyl-4-(1-methylethyl)-,
SCHEMBL11885824,
CTK6A7022,
FLA-299,
AKOS000153993,
NE31226,
CID10035153,
1-(4-propan-2-ylphenyl)propan-2-amine,
|
| Complexity | 134 |
| 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 | 2.8 |
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Certificate of Analysis
Lot Number