| CAS Number | 402920-83-6 |
| Catalog Number | AG01AF83(AGN-PC-0RMPSB) |
| Chemical Name | ethyl(2-phenylbutyl)amine |
| IUPAC Name | N-ethyl-2-phenylbutan-1-amine |
| InChI | InChI=1S/C12H19N/c1-3-11(10-13-4-2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3 |
| InChI Key | CKDGQUSKFUAVSS-UHFFFAOYSA-N |
| MDL Number | MFCD11204905 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.286 |
| SMILES | CCNCC(C1=CC=CC=C1)CC |
| Synonyms | ethyl(2-phenylbutyl)amine,
402920-83-6,
N,beta-diethylphenylethylamine,
SCHEMBL3428533,
N-Ethyl-2-phenylbutane-1-amine,
AKOS009085238,
MCULE-6524482026,
NE25389,
F1911-1837,
Z163644928,
N,beta-Diethylbenzeneethanamine,
|
| Complexity | 116 |
| 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 | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number