Basic information
- CAS
433955-84-1- Standard SMILES
Cc1c(C=O)c2ccccc2n1CC(=O)N1CCC(C)CC1- InChIKey
BOKFPTPAAQLKSQ-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Names & identifiers
- Preferred name
- 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde
- IUPAC
- 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
- English name
- 2-Methyl-1-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-1H-indole-3-carbaldehyde
- Molecular formula
- C18H22N2O2
- Molecular weight
- 298.38
Names & synonyms
433955-84-12-Methyl-1-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-1H-indole-3-carbaldehyde2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde2-Methyl-1-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)-1H-indole-3-carbaldehyde2-methyl-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]indole-3-carbaldehydeMFCD03216650Oprea1_810162DTXSID70355478BBL029905STL375939AKOS000543219
Show more names
1H-Indole-3-carboxaldehyde, 2-methyl-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-
VS-09497CS-0332273ST502742752-methyl-1-[2-(4-methylpiperidyl)-2-oxoethyl]indole-3-carbaldehyde
Database identifiers
- CAS
433955-84-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 514.1 · 514.1±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- -0.58 · -0.58±0.40(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
Suppliers7 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
MATRIX[email protected]
CHEMCOLLECT[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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