| CAS Number | 1183814-22-3 |
| Catalog Number | AG01A99Y |
| Chemical Name | 1-[3-(aminomethyl)pentan-3-yl]-4-chlorobenzene |
| IUPAC Name | 2-(4-chlorophenyl)-2-ethylbutan-1-amine |
| InChI | InChI=1S/C12H18ClN/c1-3-12(4-2,9-14)10-5-7-11(13)8-6-10/h5-8H,3-4,9,14H2,1-2H3 |
| InChI Key | SRNUVECLPRIODK-UHFFFAOYSA-N |
| MDL Number | MFCD12774750 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | CCC(C1=CC=C(Cl)C=C1)(CN)CC |
| Synonyms | 1-[3-(aminomethyl)pentan-3-yl]-4-chlorobenzene,
1183814-22-3,
AC1Q2SE7,
ZINC37934505,
AKOS010214237,
MCULE-3298960152,
NE15546,
EN300-64552,
Z1262395997,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number