(2-methylphenyl)urea

• ChemBase ID: 82961
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: N(c1c(cccc1)C)C(=O)N
• Canonical SMILES: NC(=O)Nc1ccccc1C
• InChI: InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
• InChIKey: BLSVCHHBHKGCSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylphenyl)urea
• IUPAC Traditional name: urea, (2-methylphenyl)-
• Synonyms: N-(2-methylphenyl)urea; o-TOLYLUREA; 2-Methylphenylurea; o-Tolylurea; 邻甲苯基脲

Database IDs

• CAS Number: 614-77-7
• EC Number: 210-394-8
• MDL Number: MFCD00025407
• Beilstein Number: 2690754
• PubChem SID: 162070080
• PubChem CID: 69198

CALCULATED PROPERTIES

• Acid pKa: 13.9687395
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.3908321
• LogD (pH = 7.4): 1.390832
• Log P: 1.3908321
• Molar Refractivity: 44.6389 cm^3
• Polarizability: 16.26447 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198-200°C

Safety Information

• RTECS: YU4100000
• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05217737

MP Biomedicals Rare Chemical collection