| CAS Number | 1171069-08-1 |
| Catalog Number | AG019VA4 |
| Chemical Name | [1-(3,4-Dichlorophenyl)ethyl](propyl)amine hydrochloride |
| IUPAC Name | N-[1-(3,4-dichlorophenyl)ethyl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H15Cl2N.ClH/c1-3-6-14-8(2)9-4-5-10(12)11(13)7-9;/h4-5,7-8,14H,3,6H2,1-2H3;1H |
| InChI Key | ZWWRVMHAWGIATM-UHFFFAOYSA-N |
| MDL Number | MFCD12197090 |
| Molecular Formula | C11H16Cl3N |
| Molecular Weight | 268.6104 |
| SMILES | Cl.CCCNC(C1=CC(Cl)=C(Cl)C=C1)C |
| Synonyms | [1-(3,4-dichlorophenyl)ethyl](propyl)amine hydrochloride,
1171069-08-1,
AC1Q39QI,
CTK8F2315,
AKOS008108226,
MCULE-5882040416,
NE21255,
EN300-44204,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.606g/mol |
| Monoisotopic Mass | 267.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number