| CAS Number | 372117-85-6 |
| Catalog Number | AG00D5KA(AGN-PC-02Y0OM) |
| Chemical Name | 1-(3-Chloro-4-methoxyphenyl)-N-methylmethanamine |
| IUPAC Name | 1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine |
| InChI | InChI=1S/C9H12ClNO/c1-11-6-7-3-4-9(12-2)8(10)5-7/h3-5,11H,6H2,1-2H3 |
| InChI Key | UYQLOFIATPMQGW-UHFFFAOYSA-N |
| MDL Number | MFCD09953609 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | ClC=1C=C(C=CC1OC)CNC |
| Synonyms | 372117-85-6,
N-METHYL-(3-CHLORO-4-METHOXY)BENZYLAMINE,
1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine,
[(3-CHLORO-4-METHOXYPHENYL)METHYL](METHYL)AMINE,
SCHEMBL4975928,
KS-00003TBR,
UYQLOFIATPMQGW-UHFFFAOYSA-N,
STK512916,
ZINC20927940,
AKOS001482244,
AB55520,
MCULE-7213392533,
TS-02590,
N-(3-chloro-4-methoxybenzyl)-N-methylamine,
AN-465/43421935,
A1-00637,
Z2326990059,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number