Basic information
- CAS
2492-30-0- Standard SMILES
CC(=NNC(N)=O)c1ccccc1- InChIKey
CPXYGYOMIMOSCX-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.09021198
Names & identifiers
- Preferred name
- (1-Phenylethylideneamino)urea
- IUPAC
- (1-phenylethylideneamino)urea
- English name
- Acetophenonesemicarbazone
- Molecular formula
- C9H11N3O
- Molecular weight
- 177.2
Names & synonyms
2-(1-phenylethylidene)-1-hydrazinecarboxamide(1-phenylethylideneamino)ureaMaybridge1_005560phenyl(methyl)semicarbazone2-(1-phenylethylidene)-1-hydrazine carboxamideCHEMBL74287DivK1c_001848CHEMBL1492853SCHEMBL28048924DTXSID80947803HMS2692D23AKOS017263221
Show more names
Acetophenonesemicarbazone1-[(α-Methylbenzylidene)amino]urea(1Z)-1-Phenylethanone Semicarbazone2-(1-Phenylethylidene)hydrazinecarboxamideHydrazinecarboxamide, 2-(1-phenylethylidene)-2-(1-Phenylethylidene)-1-hydrazinecarboxamide ,98%
CDS1_000808DB-2537032-(1-Phenylethylidene)hydrazine-1-carboximidic acid
Database identifiers
- CAS
2492-30-0- PubChem CID
- 17229
- DTXSID
DTXSID80947803- ChEMBL
CHEMBL1492853、CHEMBL74287
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 207
Physicochemical properties
- Melting point
- 207 · 207~209℃
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 11.73 · 11.73±0.46(Predicted)
- form
- solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 36 · 36/37/39
- HS Code
- 29280000 · 29280000
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
- hs_code
- 29280000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Suppliers9 total
武汉永璨生物科技有限公司17702719238 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉永璨生物科技有限公司+86-027-6552-2453 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…