Basic information
- CAS
100875-69-2- Standard SMILES
CN1CCN(CCOc2ccc(C=O)cc2)CC1- InChIKey
AGAKHJJMBZUXKF-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- 4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-benzaldehyde
- IUPAC
- 4-[2-(4-methylpiperazin-1-yl)ethoxy]benzaldehyde
- English name
- 4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-benzaldehyde
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
100875-69-24-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-benzaldehyde4-[2-(4-methylpiperazin-1-yl)ethoxy]benzaldehyde4-(2-(4-Methylpiperazin-1-yl)ethoxy)benzaldehyde4-[2-(4-Methyl-1-piperazinyl)ethoxy]benzaldehyde4-[2-(4-methylpiperazinyl)ethoxy]benzaldehyde4-[2-(4-Methylpiperazin-1-yl)-ethoxy]-benzaldehydeSCHEMBL5217661SCHEMBL5217666DTXSID70359633AGAKHJJMBZUXKF-UHFFFAOYSA-NMFCD07801106
Show more names
AKOS BC-2103TIMTEC-BB SBB011911
SBB011911AKOS000103123UPCMLD0ENAT5771839:001DB-357797CS-0118154ST50321120EN300-15713420Benzaldehyde, 4-[2-(4-methyl-1-piperazinyl)ethoxy]-
Database identifiers
- CAS
100875-69-2- PubChem CID
- 976975
- DTXSID
DTXSID70359633
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 385.8 · 385.8±32.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- pka
- 7.57 · 7.57±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
1 records
Compound notes
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