| Pubchem Sid | 488181199 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181199 |
| Canonical Smiles | C1=CC=C(C=C1)CNC(=O)N |
| IUPAC Name | benzylurea |
| InChIKey | RJNJWHFSKNJCTB-UHFFFAOYSA-N |
| INCHI | 1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11) |
| Isomeric SMILES | C1=CC=C(C=C1)CNC(=O)N |
| RTECS | YS1780000 |
| Molecular Weight | 150.18 |
| Beilstein | 12(3)2271 |
| Reaxy-Rn | 2208083 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208083&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2322391 | Certificate of Analysis | Dec 17, 2024 | B136656 |
| B2322621 | Certificate of Analysis | Dec 17, 2024 | B136656 |
| B2322622 | Certificate of Analysis | Dec 11, 2024 | B136656 |
| B2322400 | Certificate of Analysis | Dec 11, 2024 | B136656 |
| B2322395 | Certificate of Analysis | Dec 11, 2024 | B136656 |
| A2513013 | Certificate of Analysis | Mar 23, 2024 | B136656 |
| B1824108 | Certificate of Analysis | Jul 07, 2023 | B136656 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 149 °C |
| Molecular Weight | 150.180 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.079 Da |
| Monoisotopic Mass | 150.079 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 130.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
