Basic information
- CAS
31438-74-1- Standard SMILES
COc1cc(C=O)ccc1OCC(=O)Nc1ccc(C)cc1- InChIKey
GCPDRBYCSQDYGM-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- 2-(4-formyl-2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
- IUPAC
- 2-(4-formyl-2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
- English name
- 2-(4-Formyl-2-methoxy-phenoxy)-N-p-tolyl-acetamide
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32
Names & synonyms
31438-74-12-(4-formyl-2-methoxyphenoxy)-N-(4-methylphenyl)acetamide2-(4-Formyl-2-methoxyphenoxy)-N-(p-tolyl)acetamideMFCD01326078Oprea1_060182Oprea1_216550SCHEMBL2558559DTXSID401186297GBA43874BBL023930SBB004780STK353579
Show more names
AURORA 14724AKOS B004523ART-CHEM-BB B004523OTAVA-BB BB7116565610(4-FORMYL-2-METHOXYPHENOXY)-N-(P-TOLYL)ACETAMIDE2-(4-Formyl-2-methoxy-phenoxy)-N-p-tolyl-acetamide
AKOS000115361VS-07566CS-0281373ST45168276EN300-011102-(4-formyl-2-methoxy-phenoxy)-N-(p-tolyl)acetamideZ19660674Acetamide, 2-(4-formyl-2-methoxyphenoxy)-N-(4-methylphenyl)-
Database identifiers
- CAS
31438-74-1- PubChem CID
- 699800
- DTXSID
DTXSID401186297
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 538.7 · 538.7±45.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 13.25 · 13.25±0.70(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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