| CAS Number | 1179193-35-1 |
| Catalog Number | AG01AH8N(AGN-PC-0WOBP0) |
| Chemical Name | [2-(Pyridin-3-yl)ethyl]urea |
| IUPAC Name | 2-pyridin-3-ylethylurea |
| InChI | InChI=1S/C8H11N3O/c9-8(12)11-5-3-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H3,9,11,12) |
| InChI Key | TXCDVBUVNYNJPP-UHFFFAOYSA-N |
| MDL Number | MFCD12798242 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | NC(NCCC1=CN=CC=C1)=O |
| Synonyms | [2-(pyridin-3-yl)ethyl]urea,
1179193-35-1,
SCHEMBL2755854,
ZINC37492278,
AKOS009161805,
MCULE-9760205921,
NE53322,
EN300-74002,
Z432778234,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number