| CAS Number | 910400-04-3 |
| Catalog Number | AG01B9LT |
| Chemical Name | 2-(4-Chloro-3-methylphenyl)ethan-1-amine |
| IUPAC Name | 2-(4-chloro-3-methylphenyl)ethanamine |
| InChI | InChI=1S/C9H12ClN/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3 |
| InChI Key | MPNPFPFKBJLZFF-UHFFFAOYSA-N |
| MDL Number | MFCD08449243 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | CC1=C(Cl)C=CC(CCN)=C1 |
| Synonyms | 2-(4-chloro-3-methylphenyl)ethan-1-amine,
4-chloro-3-methylphenethylamine,
910400-04-3,
SCHEMBL3840980,
ZINC36180000,
AKOS006288196,
Z2186895169,
Benzeneethanamine, 4-chloro-3-methyl,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.652g/mol |
| Monoisotopic Mass | 169.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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