| CAS Number | 1394042-10-4 |
| Catalog Number | AG01A05V |
| Chemical Name | 4-chloro-N-(2-methylpropyl)aniline hydrochloride |
| IUPAC Name | 4-chloro-N-(2-methylpropyl)aniline;hydrochloride |
| InChI | InChI=1S/C10H14ClN.ClH/c1-8(2)7-12-10-5-3-9(11)4-6-10;/h3-6,8,12H,7H2,1-2H3;1H |
| InChI Key | SBLQGEKJSSHPNZ-UHFFFAOYSA-N |
| MDL Number | MFCD22378636 |
| Molecular Formula | C10H15Cl2N |
| Molecular Weight | 220.1388 |
| SMILES | Cl.CC(CNC1=CC=C(Cl)C=C1)C |
| Synonyms | 4-chloro-N-(2-methylpropyl)aniline hydrochloride,
1394042-10-4,
AKOS030639658,
MCULE-4081724901,
Z1695729058,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.137g/mol |
| Monoisotopic Mass | 219.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number