Basic information
- CAS
53643-53-1- Standard SMILES
COc1ccc(C=CNC=O)cc1- InChIKey
SZCZSKMCTGEJKI-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Overview
Tuberin is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- N-formyl-p-(methoxy)-styrylamine
- IUPAC
- N-[2-(4-methoxyphenyl)ethenyl]formamide
- English name
- N-(4-Methoxystyryl)formamide
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
N-formyl-p-(methoxy)-styrylamine53643-53-1FORMAMIDE,N-(P-METHOXY-TRA118653-34-2SCHEMBL49339N-(4-Methoxystyryl)formamideCHEBI:203053N-[2-(4-methoxyphenyl)ethenyl]ormamideNCI60_041619DB-298441N-[2-(4-Methoxyphenyl)ethen-1-yl]formamideTuberin
Show more names
TuberineN-[2-(4-Methoxyphenyl)ethenyl]formamideFormamide, N-[2-(4-methoxyphenyl)ethenyl]-
Database identifiers
- CAS
53643-53-1- PubChem CID
- 40840
- ChEBI
CHEBI:203053
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 132 · 132-133°
- Boiling point
- 391.7 · 391.7±34.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 14.92 · 14.92±0.23(Predicted)
- FDA UNII
- 4 JG2LF96VF · 4JG2LF96VF
Chemistry & industry
Suppliers1 total
上海沪震实业有限公司021-60345367 13916550749 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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