Basic information
- CAS
38651-95-5- Standard SMILES
O=C(Nc1ccc(OCC(O)CNC2CCCCC2)cc1)NC1CCCCC1- InChIKey
KSQZLKFCBZMSKA-UHFFFAOYSA-N- Molecular formula
- C22H35N3O3
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.26784199
Names & identifiers
- Preferred name
- Urea, N-cyclohexyl-N'-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)-
- IUPAC
- 1-cyclohexyl-3-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]urea
- English name
- 1-cyclohexyl-3-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]phenyl]urea
- Molecular formula
- C22H35N3O3
- Molecular weight
- 389.53
Names & synonyms
38651-95-5N-Cyclohexyl-N'-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)ureaBRN 2952478Urea, N-cyclohexyl-N'-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)-RefChem:3881301-cyclohexyl-3-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]ureaDTXSID30959491N'-Cyclohexyl-N-{4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl}carbamimidic acidN-Cyclohexyl-N'-[4-(3-cyclohexylamino-2-hydroxypropoxy)phenyl]urea1-cyclohexyl-3-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]phenyl]ureaUrea, N-cyclohexyl-N'-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]-
Database identifiers
- CAS
38651-95-5- PubChem CID
- 217352
- DTXSID
DTXSID30959491- Nikkaji
- J59.441E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Melting point
- 156 · 156-158 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 571 · 571.0±50.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 13.82 · 13.82±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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