| CAS Number | 1183596-21-5 |
| Catalog Number | AG01AAKO |
| Chemical Name | 4-[3-(Aminomethyl)pentan-3-yl]-1,2-dichlorobenzene |
| IUPAC Name | 2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine |
| InChI | InChI=1S/C12H17Cl2N/c1-3-12(4-2,8-15)9-5-6-10(13)11(14)7-9/h5-7H,3-4,8,15H2,1-2H3 |
| InChI Key | JZTBHJVBWOYXCN-UHFFFAOYSA-N |
| MDL Number | MFCD12816650 |
| Molecular Formula | C12H17Cl2N |
| Molecular Weight | 246.1761 |
| SMILES | CCC(C1=CC(Cl)=C(Cl)C=C1)(CN)CC |
| Synonyms | 4-[3-(aminomethyl)pentan-3-yl]-1,2-dichlorobenzene,
1183596-21-5,
AC1Q2SE6,
ZINC37934543,
NE15575,
EN300-68879,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.175g/mol |
| Monoisotopic Mass | 245.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number