alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol
Basic information
- CAS
968-63-8- Standard SMILES
OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1- InChIKey
LWPXJPFOEPMIRG-UHFFFAOYSA-N- Molecular formula
- C20H21NO
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.16231429
Overview
Butinoline is a diarylmethane.
Names & identifiers
- Preferred name
- alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol
- IUPAC
- 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
- English name
- Butinoline
- Molecular formula
- C20H21NO
- Molecular weight
- 291.39
Names & synonyms
Butinoline968-63-8ButinolinaButinolinumDTXSID3046295G216926E9TDTXCID1026295alpha-Phenyl-alpha-[3-(1-pyrrolidinyl)-1-propyn-1-yl]benzenemethanolalpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanolRefChem:10765541,1-diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-olButinoline [INN]
Show more names
8011-65611,1-di(phenyl)-4-pyrrolidin-1-ylbut-2-yn-1-ol1,1-di(phenyl)-4-pyrrolidin-1-yl-but-2-yn-1-olBenzenemethanol, α-phenyl-α-[3-(1-pyrrolidinyl)-1-propyn-1-yl]-
1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol1,1-Diphenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol2-Butyn-1-ol, 1,1-diphenyl-4-(1-pyrrolidinyl)-1,1-Diphenyl-4-pyrrolidino-1'-yl but-2-yn-1-olNCGC00160677-01Butinolinum [INN-Latin]Butinolina [INN-Spanish]CAS-968-63-8
Database identifiers
- CAS
968-63-8- PubChem CID
- 68943
- DTXSID
DTXSID3046295- ChEMBL
CHEMBL1442660
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 152 °C · 152 °C
- Boiling point
- 475.4 · 475.4±45.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- pka
- 11.39 · 11.39±0.29(Predicted)
- FDA UNII
- 216926 E9T · G216926E9T
Chemistry & industry
Applications
Uses1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol is an anticholinergic agent. 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol has the potential for the research of bronchial asthma[1]. 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Additional notes
DefinitionChEBI: Butinoline is a diarylmethane.
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