| CAS Number | 2412-49-9 |
| Catalog Number | AG01AGN4(AGN-PC-00O72V) |
| Chemical Name | n-Methyl-N-[2-(methylamino)ethyl]aniline |
| IUPAC Name | N,N'-dimethyl-N'-phenylethane-1,2-diamine |
| InChI | InChI=1S/C10H16N2/c1-11-8-9-12(2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChI Key | AIIUZOINSAAJMM-UHFFFAOYSA-N |
| MDL Number | MFCD11154964 |
| Molecular Formula | C10H16N2 |
| Molecular Weight | 164.2474 |
| SMILES | CNCCN(C)C1=CC=CC=C1 |
| Synonyms | N-methyl-N-[2-(methylamino)ethyl]aniline,
2412-49-9,
AC1Q41AQ,
1,2-Ethanediamine, N1,N2-dimethyl-N1-phenyl-,
SCHEMBL1268616,
ZINC19685465,
AKOS000257081,
MCULE-7306907274,
NE38448,
N-Methyl-2-(methylphenylamino)ethanamine,
EN300-72308,
N1,N2-Dimethyl-N1-phenylethane-1,2-diamine,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.252g/mol |
| Monoisotopic Mass | 164.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number