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Basic Description
| Synonyms | (3-Methylphenyl)urea | 1-(m-Tolyl)urea | EINECS 200-571-8 | M-METHYLPHENYLUREA | Urea, m-tolyl- | SCHEMBL166848 | FT-0629024 | N-[3-methylphenyl]urea | NSC 2177 | DTXSID1075351 | 1-m-tolylurea | (2S,3S)-3-AMINO-2-HYDROXY-5-METHYL-HEXANOICACID | 3-Tolylcar |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Toluenes Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-phenylurea - Toluene - 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 n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488180015 |
|---|---|
| IUPAC Name | (3-methylphenyl)urea |
| INCHI | InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11) |
| InChIKey | UVQVMNIYFXZXCI-UHFFFAOYSA-N |
| Smiles | CC1=CC(=CC=C1)NC(=O)N |
| Isomeric SMILES | CC1=CC(=CC=C1)NC(=O)N |
| Molecular Weight | 150.18 |
| Reaxy-Rn | 2639488 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2639488&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2229818 |
Certificate of Analysis | Oct 11, 2022 | M353832 |
| K2229924 |
Certificate of Analysis | Oct 11, 2022 | M353832 |
| K2229925 |
Certificate of Analysis | Oct 11, 2022 | M353832 |
| C2520304 |
Certificate of Analysis | Oct 11, 2022 | M353832 |
| K2229812 |
Certificate of Analysis | Oct 11, 2022 | M353832 |
Chemical and Physical Properties
| Melt Point(°C) | 139-142°C |
|---|---|
| Molecular Weight | 150.180 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| 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 | 147.000 |
| 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 |
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