Parinol
Basic information
- CAS
17781-31-6- Standard SMILES
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1- InChIKey
NBNTWDUNCHRWMT-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2NO
- Average molar mass
- 330.2 g/mol
- Monoisotopic mass
- 329.0374194
Names & identifiers
- Preferred name
- Parinol
- IUPAC
- bis(4-chlorophenyl)-pyridin-3-ylmethanol
- English name
- alpha,alpha-bis(4-chlorophenyl)pyridine-3-methanol
- Molecular formula
- C18H13Cl2NO
- Molecular weight
- 330.21
Names & synonyms
Parinol17781-31-6Bis(4-chlorophenyl)-3-pyridylmethanolDTXSID4042256alpha,alpha-Bis(4-chlorophenyl)-3-pyridinemethanolV8D29I1K71DTXCID2022256RefChem:1094314ParnonEL 241alpha,alpha-Bis(4-chlorophenyl)pyridine-3-methanolbis(4-chlorophenyl)-pyridin-3-ylmethanol
Show more names
EL-241α,α-Bis(4-chlorophenyl)-3-pyridinemethanol3-Pyridinemethanol, α,α-bis(4-chlorophenyl)-
Bis-(4-chloro-phenyl)-pyridin-3-yl-methanolBis-(4-chlorophenyl)pyridin-3-ylmethanolCHEMBL1351153-Pyridinemethanol, alpha,alpha-bis(4-chlorophenyl)-bis-(4-chlorophenyl)pyridin-3-yl-methanolParinol [ANSI].alpha.,.alpha.-Bis(4-chlorophenyl)-3-pyridinemethanolCaswell No. 637A
Database identifiers
- CAS
17781-31-6- PubChem CID
- 28768
- DTXSID
DTXSID4042256- ChEMBL
CHEMBL135115- UNII
- V8D29I1K71
- EC Number
- 241-761-0
- Nikkaji
- J10.193A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Collision Cross Section183.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4042256]
Physicochemical properties
- Melting point
- 172 · 172-174 °C(Solv: benzene (71-43-2); hexane (110-54-3))
- Boiling point
- 485.3 · 485.3±40.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 11.65 · 11.65±0.29(Predicted)
- FDA UNII
- 8 D29I1K71 · V8D29I1K71
- EPA Substance Registry System
- Parinol (17781-31-6)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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