Basic information
- CAS
144978-82-5- Standard SMILES
N#CC(=Cc1ccc(O)cc1)C(N)=C(C#N)C#N- InChIKey
DXVJRTIPBNBLLB-UHFFFAOYSA-N- Molecular formula
- C13H8N4O
- Average molar mass
- 236.23 g/mol
- Monoisotopic mass
- 236.06981089
Names & identifiers
- Preferred name
- 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene
- IUPAC
- 2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
- English name
- TYRPHOSTIN A48
- Molecular formula
- C13H8N4O
- Molecular weight
- 236.23
Names & synonyms
2-amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-dieneRefChem:9095402-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrileTyrphostin A 48orb1685371SCHEMBL1705596DTXSID601017214HMS3369N031,3-Butadiene-1,1,3-tricarbonitrile, 2-amino-4-(4-hydroxyphenyl)-PD075750Q271656843-amino-2,4-dicyano-5-(4-hydroxyphenyl)-penta-2,4-dienonitrile
Show more names
AG 112TYRPHOSTIN A48TYRPHOSTIN AG 1123-AMINO-2,4-DICYANO-5-(4'-HYDROXYPHENYL)-PENTA-2,4-DIENONITRILE1-Propene-1,1,3-tricarbonitrile, 2-amino-3-[(4-hydroxyphenyl)methylene]-Tyrphostin A48, 3-Amino-2,4-dicyano-5-(4μ-hydroxyphenyl)penta-2,4-dienonitrile
3-Amino-2,4-dicyano-5-[4 -hydroxyphenyl]penta-2,4-dienonitrile
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 124 °C · >124°C (dec.)
- Boiling point
- 642 · 642.0±55.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Acetone (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.86 · 8.86±0.30(Predicted)
- color
- Yellow
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesTyrphostin AG 112 is an EGFR inhibitor.
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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