Basic information
- CAS
19895-44-4- Standard SMILES
CC(C)NC(=O)Nc1ccccc1- InChIKey
CIBUQXSYGPGEGX-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- Urea, N-(1-methylethyl)-N'-phenyl-
- IUPAC
- 1-phenyl-3-propan-2-ylurea
- English name
- Urea,N-(1-methylethyl)-N'-phenyl-
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
19895-44-4Urea, N-(1-methylethyl)-N'-phenyl-UNII-B1675C5R46B1675C5R46DTXSID20747441-PHENYL-3-ISOPROPYLUREA3-ISOPROPYL-1-PHENYLUREAN-PHENYL-N'-(1-METHYLETHYL)UREARefChem:193246DTXCID5036181UREA, 1-ISOPROPYL-3-PHENYL-(7CI,8CI)1-phenyl-3-(propan-2-yl)urea
Show more names
Urea,N-(1-methylethyl)-N'-phenyl-
1-ISOPROPYL-3-PHENYLUREA1-phenyl-3-propan-2-ylureaN-phenyl-N'-propan-2-ylurea[(methylethyl)amino]-N-benzamideXY41-phenyl-3-i-propylurea1-isopropyl-3-phenyl-ureaBuprofezin metabolite BF12
Database identifiers
- CAS
19895-44-4- PubChem CID
- 29852
- DTXSID
DTXSID2074744- UNII
- B1675C5R46
- EC Number
- 666-817-5
- Nikkaji
- J869.412E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP1.84
Physicochemical properties
- Melting point
- 142 · 142-143 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 261.2 · 261.2±13.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 12.47 · 12.47±0.46(Predicted)
- FDA UNII
- 1675 C5R46 · B1675C5R46
- EPA Substance Registry System
- Urea, N-(1-methylethyl)-N'-phenyl- (19895-44-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
UsesThe molar enthalpy of formation of 1-Phenyl-3-(propan-2-yl)urea was determined in a combustion calorimetry experiment.
Suppliers6 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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