| CAS Number | 444325-84-2 |
| Catalog Number | AG01A0VS |
| Chemical Name | N2-(2,4,6-trimethylphenyl)pyridine-2,3-diamine |
| IUPAC Name | 2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine |
| InChI | InChI=1S/C14H17N3/c1-9-7-10(2)13(11(3)8-9)17-14-12(15)5-4-6-16-14/h4-8H,15H2,1-3H3,(H,16,17) |
| InChI Key | JPUBFIZUCRYZFH-UHFFFAOYSA-N |
| MDL Number | MFCD11562418 |
| Molecular Formula | C14H17N3 |
| Molecular Weight | 227.3049 |
| SMILES | CC1=CC(C)=C(NC2=C(N)C=CC=N2)C(C)=C1 |
| Synonyms | 2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine,
444325-84-2,
N2-(2,4,6-Trimethylphenyl)pyridine-2,3-diamine,
SCHEMBL14446507,
JPUBFIZUCRYZFH-UHFFFAOYSA-N,
SBB079768,
ZINC20317531,
AKOS022214559,
(3-amino(2-pyridyl))(2,4,6-trimethylphenyl)amine,
N2-(2,4,6-Trimethyl-phenyl)-pyridine-2,3-diamine,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.311g/mol |
| Monoisotopic Mass | 227.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number