Basic information
- CAS
1667717-42-1- Standard SMILES
COCOc1cccc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O- InChIKey
HAGLXVPDKIRQCX-UHFFFAOYSA-N- Molecular formula
- C21H23N3O4
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.16885622
Names & identifiers
- Preferred name
- 2-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-6-(methoxymethoxy)benzaldehyde
- IUPAC
- 2-(methoxymethoxy)-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
- English name
- Benzaldehyde, 2-(methoxymethoxy)-6-[[2-[1-(1-methylethyl)-1H-pyrazol-5-yl]-3-pyridinyl]methoxy]-
- Molecular formula
- C21H23N3O4
- Molecular weight
- 381.42
Names & synonyms
2-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-6-(methoxymethoxy)benzaldehyde1667717-42-1starbld0002805MUQ9MH4WSASCHEMBL161031652-(Methoxymethoxy)-6-[[2-[1-(1-methylethyl)-1H-pyrazol-5-yl]-3-pyridinyl]methoxy]benzaldehydeBenzaldehyde, 2-(methoxymethoxy)-6-[[2-[1-(1-methylethyl)-1H-pyrazol-5-yl]-3-pyridinyl]methoxy]-Lanreotide Impurity 34102-(methoxymethoxy)-6-[[2-(2-propan-2-yl-3-pyrazolyl)-3-pyridinyl]methoxy]benzaldehyde
Database identifiers
- CAS
1667717-42-1- PubChem CID
- 90463243
- UNII
- MUQ9MH4WSA
- Nikkaji
- J3.798.949E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 583.7 · 583.7±50.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.29(Predicted)
Chemistry & industry
Suppliers4 total
广州旺晟生物科技有限公司020-87317062 13048089691 · [email protected]
成都赛莱斯科技有限公司19982073091 · [email protected]
湖南唯美胜科技有限公司13574065797 18072509156 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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