| CAS Number | 38036-47-4 |
| Catalog Number | AG00C9AS(AGN-PC-0NITJA) |
| Chemical Name | N,3,4-Trimethylaniline |
| IUPAC Name | N,3,4-trimethylaniline |
| InChI | InChI=1S/C9H13N/c1-7-4-5-9(10-3)6-8(7)2/h4-6,10H,1-3H3 |
| InChI Key | XXABKSVWHJDSNO-UHFFFAOYSA-N |
| MDL Number | MFCD11152839 |
| Molecular Formula | C9H13N |
| Molecular Weight | 135.2062 |
| SMILES | CNC1=CC(=C(C=C1)C)C |
| Synonyms | n,3,4-trimethylaniline,
3,4,N-trimethyl-aniline,
38036-47-4,
N-Methyl-3,4-xylidine,
SCHEMBL2092210,
XXABKSVWHJDSNO-UHFFFAOYSA-N,
SBB084410,
ZINC20050803,
AKOS000253965,
AB01002660-01,
(3,4-dimethylphenyl)methylamine,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.21g/mol |
| Monoisotopic Mass | 135.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number