| CAS Number | 1158549-63-3 |
| Catalog Number | AG00J439(AGN-PC-0WB7VA) |
| Chemical Name | (5-chloro-2-methoxybenzyl)methylamine hydrochloride |
| IUPAC Name | 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c1-11-6-7-5-8(10)3-4-9(7)12-2;/h3-5,11H,6H2,1-2H3;1H |
| InChI Key | JXLTUVQBRHQYQY-UHFFFAOYSA-N |
| MDL Number | MFCD07169758 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | C1(CNC)=CC(Cl)=CC=C1OC.Cl |
| Synonyms | 1158549-63-3,
(5-Chloro-2-methoxybenzyl)methylamine hydrochloride,
N-(5-chloro-2-methoxybenzyl)-N-methylamine hydrochloride,
[(5-chloro-2-methoxyphenyl)methyl](methyl)amine hydrochloride,
1-(5-Chloro-2-methoxyphenyl)-N-methylmethanamine hydrochloride,
AC1Q3BSG,
CTK6I5341,
MFCD07169758,
AKOS027386480,
NE25076,
EN300-31711,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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