| CAS Number | 92023-86-4 |
| Catalog Number | AG00IGZW(AGN-PC-0714IT) |
| Chemical Name | 1,3-Bis(4-methylpyridin-2-yl)urea |
| IUPAC Name | 1,3-bis(4-methylpyridin-2-yl)urea |
| InChI | InChI=1S/C13H14N4O/c1-9-3-5-14-11(7-9)16-13(18)17-12-8-10(2)4-6-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18) |
| InChI Key | PWWGYNUFWIWEIZ-UHFFFAOYSA-N |
| MDL Number | MFCD06637803 |
| Molecular Formula | C13H14N4O |
| Molecular Weight | 242.2765 |
| SMILES | O=C(Nc1nccc(c1)C)Nc1nccc(c1)C |
| Synonyms | 1,3-Bis(4-methylpyridin-2-yl)urea,
92023-86-4,
MFCD06637803,
ZINC32916896,
N,N'-bis(4-methyl-2-pyridinyl)urea,
AKOS000265460,
Urea, N,N'-bis(4-methyl-2-pyridinyl)-,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.282g/mol |
| Monoisotopic Mass | 242.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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