Basic information
- CAS
301334-92-9- Standard SMILES
COc1ccccc1C1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1- InChIKey
XFWTTYDGWHAYGZ-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- 4-[4-(2-Methoxyphenyl)piperidino]-3-nitrobenzaldehyde
- IUPAC
- 4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrobenzaldehyde
- English name
- 4-[4-(2-METHOXYPHENYL)PIPERIDINO]-3-NITROBENZALDEHYDE
- Molecular formula
- C19H20N2O4
- Molecular weight
- 340.37
Names & synonyms
301334-92-94-[4-(2-Methoxyphenyl)piperidino]-3-nitrobenzaldehyde4-(4-(2-Methoxyphenyl)piperidin-1-yl)-3-nitrobenzaldehyde4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrobenzaldehydeMFCD01314135Benzaldehyde,4-[4-(2-methoxyphenyl)-1-piperidinyl]-3-nitro-DTXSID60371581AKOS027383169AS-9127DB-026174CS-03332694-[4-(2-methoxyphenyl)-1-piperidyl]-3-nitro-benzaldehyde
Show more names
4-[4-(2-methoxyphenyl)-1-piperidinyl]-3-nitrobenzaldehydeBenzaldehyde, 4-[4-(2-methoxyphenyl)-1-piperidinyl]-3-nitro-
Database identifiers
- CAS
301334-92-9- PubChem CID
- 2736762
- DTXSID
DTXSID60371581
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…