| CAS Number | 847837-45-0 |
| Catalog Number | AG019OFQ |
| Chemical Name | 1-(4-Sec-butylphenyl)-2-methylpropan-1-amine |
| IUPAC Name | 1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine |
| InChI | InChI=1S/C14H23N/c1-5-11(4)12-6-8-13(9-7-12)14(15)10(2)3/h6-11,14H,5,15H2,1-4H3 |
| InChI Key | DAKTWDHRBOZHKJ-UHFFFAOYSA-N |
| MDL Number | MFCD07325235 |
| Molecular Formula | C14H23N |
| Molecular Weight | 205.3391 |
| SMILES | CCC(C1=CC=C(C(C(C)C)N)C=C1)C |
| Synonyms | 1-[4-(butan-2-yl)phenyl]-2-methylpropan-1-amine,
847837-45-0,
1-(4-sec-butylphenyl)-2-methylpropan-1-amine,
AC1NLQZT,
AC1Q2S3J,
CTK6C8056,
AKOS000250398,
AKOS017276347,
MCULE-4063081693,
NE24454,
NCGC00337792-01,
EN300-13848,
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine,
AB01165963-03,
Z94602035,
CID4962685,
1-(4-butan-2-ylphenyl)-2-methyl-propan-1-amine,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.345g/mol |
| Monoisotopic Mass | 205.183g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number