Basic information
- CAS
28510-45-4- Standard SMILES
Cc1ccc(N=C(N)N=C(N)N)c(C)c1- InChIKey
NEOMBHNYODRTQG-UHFFFAOYSA-N- Molecular formula
- C10H15N5
- Average molar mass
- 205.26 g/mol
- Monoisotopic mass
- 205.1327455
Names & identifiers
- Preferred name
- Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-
- IUPAC
- 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine
- English name
- 1-(2,4-xylyl)biguanide
- Molecular formula
- C10H15N5
- Molecular weight
- 205.26
Names & synonyms
Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-RefChem:7907981-(2,4-Xylyl)biguanide28510-45-4N-(2,4-dimethylphenyl)imidodicarbonimidic diamideMaybridge1_005916EINECS 249-061-71-CARBAMIMIDAMIDO-N-(2,4-DIMETHYLPHENYL)METHANIMIDAMIDE64DC2AZY5DMLS000769487SCHEMBL9647923CHEMBL1713382
Show more names
Adagrasib Impurity 21N1-(2,4-Dimethylphenyl)biguanide
HMS558E20CCG-658DTXSID00182734NEOMBHNYODRTQG-UHFFFAOYSA-NHMS2795E19STK105916AKOS002225142NCGC00246494-01
Database identifiers
- CAS
28510-45-4- PubChem CID
- 20879
- DTXSID
DTXSID00182734- ChEMBL
CHEMBL1713382- UNII
- 64DC2AZY5D
- EC Number
- 249-061-7
- Nikkaji
- J155.948F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 309.1 · 309.1±52.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 11.67 · 11.67±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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