| CAS Number | 81880-27-5 |
| Catalog Number | AG019PT6 |
| Chemical Name | 1-(4-Chlorophenyl)-2-methylbutan-1-amine |
| IUPAC Name | 1-(4-chlorophenyl)-2-methylbutan-1-amine |
| InChI | InChI=1S/C11H16ClN/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3 |
| InChI Key | WHVMBRDHYOGMIZ-UHFFFAOYSA-N |
| MDL Number | MFCD11127120 |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.7044 |
| SMILES | CCC(C(C1=CC=C(Cl)C=C1)N)C |
| Synonyms | 1-(4-chlorophenyl)-2-methylbutan-1-amine,
81880-27-5,
AKOS000199995,
AKOS016903368,
MCULE-2095948250,
NE46805,
EN300-86423,
Z1263529838,
|
| Complexity | 141 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number