| CAS Number | 40171-95-7 |
| Catalog Number | AG00CLQL(AGN-PC-00VD5A) |
| Chemical Name | N-(3,4-Dimethoxybenzyl)-n-ethylamine, HCl |
| IUPAC Name | N-[(3,4-dimethoxyphenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NO2.ClH/c1-4-12-8-9-5-6-10(13-2)11(7-9)14-3;/h5-7,12H,4,8H2,1-3H3;1H |
| InChI Key | AYWZXYHHYMIZHP-UHFFFAOYSA-N |
| MDL Number | MFCD07106857 |
| Molecular Formula | C11H17NO2 |
| Molecular Weight | 195.2582 |
| SMILES | CCNCC1=CC(OC)=C(OC)C=C1 |
| Synonyms | 40171-95-7,
N-(3,4-Dimethoxybenzyl)ethanamine hydrochloride,
N-(3,4-dimethoxybenzyl)-N-ethylamine hydrochloride,
1052544-93-0,
[(3,4-dimethoxyphenyl)methyl](ethyl)amine hydrochloride,
AC1Q39VK,
CTK8G1273,
DTXSID50585817,
MFCD07106857,
AKOS024262318,
MCULE-3369914093,
EN300-13217,
Z89283372,
N-[(3,4-Dimethoxyphenyl)methyl]ethanamine--hydrogen chloride (1/1),
N- -N-ETHYLAMINEHYDROCHLORIDE,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.72g/mol |
| Monoisotopic Mass | 231.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number