Basic information
- CAS
886-59-9- Standard SMILES
O=C(Nc1ccccc1)NC1CCCCC1- InChIKey
WPLYTRWMCWBZEN-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- N-Cyclohexyl-N'-phenylurea
- IUPAC
- 1-cyclohexyl-3-phenylurea
- English name
- 1-cyclohexyl-3-phenyl-urea
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.29
Names & synonyms
886-59-9N-CYCLOHEXYL-N'-PHENYLUREAWGK69BVU4FNSC-80588RefChem:10917011-cyclohexyl-3-phenylurea1-phenyl-3-cyclohexylureaUrea, N-cyclohexyl-N'-phenyl-CHEMBL365939(cyclohexylamino)-N-benzamide1-Cyclohexyl-3-phenyl-urea3-cyclohexyl-1-phenylurea
Show more names
NSC80588Cyclohexyl-3-phenylureaUNII-WGK69BVU4FCBMicro_019203Cambridge id 53535381-cyclohexyl 3-phenyl ureaMLS000532450SCHEMBL812273
Database identifiers
- CAS
886-59-9- PubChem CID
- 13451
- DTXSID
DTXSID90877268- ChEMBL
CHEMBL365939- UNII
- WGK69BVU4F
- Nikkaji
- J590.533H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
LogP2.77
Physicochemical properties
- Melting point
- 182 °C · 182 °C(Solv: acetone (67-64-1))
- Boiling point
- 333.6 · 333.6±15.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 12.36 · 12.36±0.20(Predicted)
- FDA UNII
- 69 BVU4F · WGK69BVU4F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Suppliers16 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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