| CAS Number | 667864-91-7 |
| Catalog Number | AG01A9HT |
| Chemical Name | 3-(4-chlorophenyl)pentan-3-amine hydrochloride |
| IUPAC Name | 3-(4-chlorophenyl)pentan-3-amine;hydrochloride |
| InChI | InChI=1S/C11H16ClN.ClH/c1-3-11(13,4-2)9-5-7-10(12)8-6-9;/h5-8H,3-4,13H2,1-2H3;1H |
| InChI Key | GTIFSFQABYBMIZ-UHFFFAOYSA-N |
| MDL Number | MFCD16622085 |
| Molecular Formula | C11H17Cl2N |
| Molecular Weight | 234.1654 |
| SMILES | Cl.CCC(C1=CC=C(Cl)C=C1)(CC)N |
| Synonyms | 3-(4-chlorophenyl)pentan-3-amine hydrochloride,
667864-91-7,
AC1Q39MS,
AKOS008140615,
MCULE-2918811607,
NE16016,
EN300-65133,
Z1262327443,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.164g/mol |
| Monoisotopic Mass | 233.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number