Completing data — refresh the page later to see the latest
Basic information
- CAS
13295-94-8- Standard SMILES
C(#Cc1ccncc1)c1ccccc1- InChIKey
MDTKRBFWMKZRDH-UHFFFAOYSA-N- Molecular formula
- C13H9N
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.07349929
Names & identifiers
- Preferred name
- 4-(Phenylethynyl)pyridine
- IUPAC
- 4-(2-phenylethynyl)pyridine
- English name
- 4-(2-phenylethynyl)pyridine
- Molecular formula
- C13H9N
- Molecular weight
- 179.22
Names & synonyms
4-(Phenylethynyl)pyridine13295-94-8DTXSID20326198pyridine, 4-(2-phenylethynyl)-RefChem:289294DTXCID60277312MDTKRBFWMKZRDH-UHFFFAOYSA-N4-(2-phenylethynyl)pyridine4-PhenylethynylpyridineNSC5252524-Phenylethynyl-pyridinepyridine, 4-phenylethynyl-
Show more names
SCHEMBL29259681-(4-pyridyl)-2-phenylethyneSCHEMBL16398505SCHEMBL28775743AKOS030547234HS-5818NSC-525252DB-367082
Database identifiers
- CAS
13295-94-8- PubChem CID
- 352172
- DTXSID
DTXSID20326198- Nikkaji
- J1.635.704I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 95 · 95.0-95.5 °C
- Boiling point
- 109 · 109-110 °C(Press: 0.5 Torr)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 4 · 4+-.0.10(Predicted)
Chemistry & industry
Suppliers23 total
上海药森生物科技有限公司18916117619 18916117619 · [email protected]
苏州纳什医药科技有限公司13482028355 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
苏州杉洋新材料有限公司0512-63268889 18506119477 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
Related reactions
7 records
Compound notes
Loading…