| CAS Number | 39217-14-6 |
| Catalog Number | AG019LUR |
| Chemical Name | N-Benzyl-3,4-dimethoxyaniline |
| IUPAC Name | N-benzyl-3,4-dimethoxyaniline |
| InChI | InChI=1S/C15H17NO2/c1-17-14-9-8-13(10-15(14)18-2)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3 |
| InChI Key | ISFAKKYTEKYAMC-UHFFFAOYSA-N |
| MDL Number | MFCD01564501 |
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.3010 |
| SMILES | COC1=C(OC)C=C(NCC2=CC=CC=C2)C=C1 |
| Synonyms | N-benzyl-3,4-dimethoxyaniline,
39217-14-6,
Benzenemethanamine, N-(3,4-dimethoxyphenyl)-,
Oprea1_689065,
SCHEMBL5309365,
CTK1B4161,
DTXSID70577557,
ZINC19908847,
AKOS000233123,
N-benzyl-N-(3,4-dimethoxyphenyl)amine,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.306g/mol |
| Monoisotopic Mass | 243.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number