| CAS Number | 105871-09-8 |
| Catalog Number | AG01AA6C(AGN-PC-0OVAM7) |
| Chemical Name | 1-(4-Chlorophenyl)-3-methylbutan-2-amine |
| IUPAC Name | 1-(4-chlorophenyl)-3-methylbutan-2-amine |
| InChI | InChI=1S/C11H16ClN/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3 |
| InChI Key | AIJIRICRIUMVSU-UHFFFAOYSA-N |
| MDL Number | MFCD11935636 |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.7044 |
| SMILES | CC(C(CC1=CC=C(Cl)C=C1)N)C |
| Synonyms | 1-(4-chlorophenyl)-3-methylbutan-2-amine,
105871-09-8,
AC1Q1O3Q,
SCHEMBL4692957,
AKOS008141526,
MCULE-5843487474,
NE54217,
EN300-67188,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.706g/mol |
| Monoisotopic Mass | 197.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number