| CAS Number | 35162-34-6 |
| Catalog Number | AG00KLOB(AGN-PC-0KL4BV) |
| Chemical Name | 3,4-Dimethoxy-N-methylaniline |
| IUPAC Name | 3,4-dimethoxy-N-methylaniline |
| InChI | InChI=1S/C9H13NO2/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6,10H,1-3H3 |
| InChI Key | PGBJWAKHAFOCEL-UHFFFAOYSA-N |
| MDL Number | MFCD06654040 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | COC=1C=C(NC)C=CC1OC |
| Synonyms | 3,4-dimethoxy-N-methylaniline,
35162-34-6,
3,4-dimethoxy-N-methylbenzenamine,
AC1MDBNC,
N-Methyl-3,4-dimethoxyaniline,
SCHEMBL1576262,
N-methyl-3,4-dimethoxy aniline,
PGBJWAKHAFOCEL-UHFFFAOYSA-N,
ZINC3953418,
MFCD06654040,
AKOS000256455,
MCULE-2102236226,
3,4-dimethoxy-N-methyl-aniline,
(3,4-Dimethoxy-phenyl)-methyl-amine,
CID2786955,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number