Carbanilide, N-methyl-
Basic information
- CAS
612-01-1- Standard SMILES
CN(C(=O)Nc1ccccc1)c1ccccc1- InChIKey
RLGZENVXTXVWJN-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- Carbanilide, N-methyl-
- IUPAC
- 1-methyl-1,3-diphenylurea
- English name
- 1,3-Diphenyl-1-methylurea
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
N-Methyl-N,N'-diphenylurea612-01-1Carbanilide, N-methyl-Urea, N-methyl-N,N'-diphenyl-3-Methyl-1,3-diphenylureaNSC 19640DTXSID50210096RefChem:333205Carbanilide, N-methyl-(8CI)DTXCID50132587Urea, N-methyl-N,N'-diphenyl-(9CI)1-methyl-1,3-diphenylurea
Show more names
1,3-Diphenyl-1-methylurea
2ZJV2SA3SENSC-19640N-methylcarbanilideCarbanilide, N-methyl- (8CI)NSC19640MethyldiphenylharnstoffUNII-2ZJV2SA3SESCHEMBL2512409
Database identifiers
- CAS
612-01-1- PubChem CID
- 95126
- DTXSID
DTXSID50210096- UNII
- 2ZJV2SA3SE
- EC Number
- 667-178-5
- Nikkaji
- J96.124H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 106 °C · 106°C
- Boiling point
- 367.89 °C · 367.89°C (rough estimate)
- Density
- 1.0852 · 1.0852 (rough estimate)
- refractive index
- 1.6419 · 1.6419 (estimate)
- pka
- 14.5 · 14.50±0.70(Predicted)
- FDA UNII
- 2 ZJV2SA3SE · 2ZJV2SA3SE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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