Cas no 88940-77-6 (5-Pyrimidinehexanol)
5-Pyrimidinehexanol structure
Product Name:5-Pyrimidinehexanol
CAS No:88940-77-6
MF:C10H16N2O
MW:180.246842384338
CID:619109
PubChem ID:13557544
Update Time:2025-04-19
5-Pyrimidinehexanol Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinehexanol
- 6-pyrimidin-5-ylhexan-1-ol
- 6-(PYRIMIDIN-5-YL)HEXAN-1-OL
- SCHEMBL9741702
- QCXSNTXJIYUSLC-UHFFFAOYSA-N
- 88940-77-6
- DTXSID80543809
-
- Inchi： 1S/C10H16N2O/c13-6-4-2-1-3-5-10-7-11-9-12-8-10/h7-9,13H,1-6H2
- InChI Key： QCXSNTXJIYUSLC-UHFFFAOYSA-N
- SMILES： OCCCCCCC1=CN=CN=C1
Computed Properties
- Exact Mass: 180.126263138g/mol
- Monoisotopic Mass: 180.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 46?2
5-Pyrimidinehexanol Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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