| CAS Number | 169045-11-8 |
| Catalog Number | AG001YG3(AGN-PC-02IP6L) |
| Chemical Name | Benzenemethanamine, 4-chloro-3-methoxy-, hydrochloride (1:1) |
| IUPAC Name | (4-chloro-3-methoxyphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H10ClNO.ClH/c1-11-8-4-6(5-10)2-3-7(8)9;/h2-4H,5,10H2,1H3;1H |
| InChI Key | KZEPKPPRWDMTAC-UHFFFAOYSA-N |
| MDL Number | MFCD27923774 |
| Molecular Formula | C8H11Cl2NO |
| Molecular Weight | 208.0850 |
| SMILES | NCC1=CC=C(Cl)C(OC)=C1.[H]Cl |
| Synonyms | (4-Chloro-3-methoxyphenyl)methanamine hydrochloride,
169045-11-8,
A1-00634,
SCHEMBL8299478,
AX8283645,
EN300-249291,
(4-Chloro-3-methoxyphenyl)-methanamine hydrochloride,
Benzenemethanamine, 4-chloro-3-methoxy-, hydrochloride (1:1),
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.082g/mol |
| Monoisotopic Mass | 207.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number