3-Methyl-1,1-diphenylurea - ≥95% , CAS No.13114-72-2

CAS: 13114-72-2 Cat. No.: W132763 Molecular Weight: 226.27 EC Number: 236-039-7 PubChem CID: 25711

GRADE & PURITY ≥95%

Synonyms

3-METHYL-11-DIPHENYLUREA | ACARDIT II | CCG-246514 | STK058207 | Q27285000 | UREA, 3-METHYL-1,1-DIPHENYL- | N'-METHYL-N,N-DIPHENYLUREA | N-methyl-N',N'-diphenylurea | 1-Methyl-3,3-diphenylurea | UNII-NR12XN9HWN | ACARDITE II | CBDivE_000396 | FT-0608058 |

Storage

Room temperature

Shipped In

Normal

Overview

Description
3-Methyl-1,1-diphenylurea is reported as USP standard.

Application

(methylamino)-N,N-dibenzamide
A diphenylurea compound used to stabilize thermal propellants

Specifications

Synonyms

3-METHYL-11-DIPHENYLUREA | ACARDIT II | CCG-246514 | STK058207 | Q27285000 | UREA, 3-METHYL-1, 1-DIPHENYL- | N'-METHYL-N, N-DIPHENYLUREA | N-methyl-N', N'-diphenylurea | 1-Methyl-3, 3-diphenylurea | UNII-NR12XN9HWN | ACARDITE II | CBDivE_000396 | FT-0608058 |

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488182976
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182976
• Canonical Smiles: CNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: 3-methyl-1,1-diphenylurea
• InChIKey: IMFYAZJNDOZIFV-UHFFFAOYSA-N
• INCHI: 1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
• Isomeric SMILES: CNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
• WGK Germany: 3
• PubChem CID: 25711
• Molecular Weight: 226.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

Discover Target: PTPN7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 172-174 °C (lit.)
• Molecular Weight: 226.270 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.111 Da
• Monoisotopic Mass: 226.111 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 225.000
• 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

References

1. Wen-Jie Xu, Xue-Ning Cheng, Zhong-Xuan Han, Zhan-Jun Yang, Shu-Na Zhao, Hao Liu, Mi Li, Lin Jiang.  (2025)  Nanostructured electrospun nitrocellulose: Stabilization mechanisms and degradation kinetics of organic stabilizers.  FUEL,      [PMID:] [10.1016/j.fuel.2025.138094]