Basic information
- CAS
2158-10-3- Standard SMILES
CCCCCCCCNC(N)=O- InChIKey
UBBIDOUCHSVOFY-UHFFFAOYSA-N- Molecular formula
- C9H20N2O
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.15756327
Names & identifiers
- Preferred name
- N-Octylurea
- IUPAC
- octylurea
- English name
- N-OCTYLUREA
- Molecular formula
- C9H20N2O
- Molecular weight
- 172.27
Names & synonyms
n-OCTYLUREA2158-10-3Urea, octyl-DTXSID30175932RefChem:1092042DTXCID0098423Octylurea1-OCTYLUREAn-octyl ureaNa(2)-OctylureaBRN 1759386AI3-61312
Show more names
Urea, N-octyl-
SCHEMBL81151SCHEMBL811524-04-00-00758 (Beilstein Handbook Reference)SCHEMBL7305201SCHEMBL19921858AKOS006273230F76770
Database identifiers
- CAS
2158-10-3- PubChem CID
- 200490
- DTXSID
DTXSID30175932- Nikkaji
- J191.795A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 102.5 °C · 102.5 °C
- Boiling point
- 210 · 210-212 °C(Press: 0.11 Torr)
- Density
- 0.8607 g/cm3 · 0.8607 g/cm3(Temp: 25 °C)
- pka
- 14.35 · 14.35±0.46(Predicted)
Chemistry & industry
Suppliers5 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
Changzhou PBpharmaceutical R&D Co.,Ltd0519-83990708 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
1 records
Compound notes
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