| CAS Number | 756475-18-0 |
| Catalog Number | AG019WA8 |
| Chemical Name | [(3,4-dichlorophenyl)methyl](3-methylbutyl)amine |
| IUPAC Name | N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine |
| InChI | InChI=1S/C12H17Cl2N/c1-9(2)5-6-15-8-10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3 |
| InChI Key | MGPARZLCQFPJOU-UHFFFAOYSA-N |
| MDL Number | MFCD09688600 |
| Molecular Formula | C12H17Cl2N |
| Molecular Weight | 246.1761 |
| SMILES | CC(CCNCC1=CC(Cl)=C(Cl)C=C1)C |
| Synonyms | [(3,4-dichlorophenyl)methyl](3-methylbutyl)amine,
756475-18-0,
AC1Q1PFU,
SCHEMBL6078627,
CTK8F2233,
ZINC13718191,
AKOS002624640,
MCULE-4370487990,
NE14276,
3,4-dichlorobenzyl-(3-methylbutyl)amine,
EN300-51211,
Z86133691,
|
| Complexity | 173 |
| 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 | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number