4-(4-methylpiperazino)benzaldehyde - CAS 27913-99-1
Catalog: |
BB019705 |
Product Name: |
4-(4-methylpiperazino)benzaldehyde |
CAS: |
27913-99-1 |
Synonyms: |
4-(4-methyl-1-piperazinyl)benzaldehyde; 4-(4-methylpiperazin-1-yl)benzaldehyde |
IUPAC Name: | 4-(4-methylpiperazin-1-yl)benzaldehyde |
Description: | 4-(4-methylpiperazino)benzaldehyde (CAS# 27913-99-1) is a useful research chemical. |
Molecular Weight: | 204.27 |
Molecular Formula: | C12H16N2O |
Canonical SMILES: | CN1CCN(CC1)C2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3 |
InChI Key: | PFODEVGLOVUVHS-UHFFFAOYSA-N |
Boiling Point: | 351.3 ℃ at 760 mmHg |
Melting Point: | 57-60 ℃ |
Purity: | 95 % |
Density: | 1.107 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00452233 |
LogP: | 1.25380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778208-A | Dihydropyrazole MurA enzyme inhibitor molecule and preparation method and application thereof | 20210108 |
CN-112679474-A | Ratio type fluorescent probe and preparation method and application thereof | 20201208 |
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Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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