[(4-Methylphenyl)methylideneamino]urea
Basic information
- CAS
3030-95-3- Standard SMILES
Cc1ccc(C=NNC(N)=O)cc1- InChIKey
UIHYVCKNLUAASL-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.09021198
Overview
See also: 4-Methylbenzaldehyde semicarbazone (annotation moved to).
Names & identifiers
- Preferred name
- [(4-Methylphenyl)methylideneamino]urea
- IUPAC
- [(4-methylphenyl)methylideneamino]urea
- English name
- Hydrazinecarboxamide,2-[(4-methylphenyl)methylene]-
- Molecular formula
- C9H11N3O
- Molecular weight
- 177.2
Names & synonyms
3030-95-3DTXSID10952667AKOS017263552Hydrazinecarboxamide, 2-[(4-methylphenyl)methylene]-2-[(4-Methylphenyl)methylidene]hydrazine-1-carboximidic acid4-METHYLBENZALDEHYDE SEMICARBAZONE[(Z)-(4-methylphenyl)methylideneamino]ureaHydrazinecarboxamide,2-[(4-methylphenyl)methylene]-
Database identifiers
- CAS
3030-95-3- PubChem CID
- 346535
- DTXSID
DTXSID10952667
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 200 · 200-202 °C
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 11.68 · 11.68±0.46(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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