trans-4-(Diethylamino)cinnamaldehyde - CAS 22411-59-2
Catalog: |
BB017580 |
Product Name: |
trans-4-(Diethylamino)cinnamaldehyde |
CAS: |
22411-59-2 |
Synonyms: |
(E)-3-[4-(diethylamino)phenyl]prop-2-enal |
IUPAC Name: | (E)-3-[4-(diethylamino)phenyl]prop-2-enal |
Description: | trans-4-(Diethylamino)cinnamaldehyde (CAS# 22411-59-2) is a useful research chemical. Dyes and metabolites. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | CCN(CC)C1=CC=C(C=C1)C=CC=O |
InChI: | InChI=1S/C13H17NO/c1-3-14(4-2)13-9-7-12(8-10-13)6-5-11-15/h5-11H,3-4H2,1-2H3/b6-5+ |
InChI Key: | JXXOTBSUZDDHLT-AATRIKPKSA-N |
Boiling Point: | 355.4 °C at 760 mmHg |
Melting Point: | 74-76 °C |
Purity: | 95 % |
Density: | 1.022 g/cm3 |
MDL: | MFCD00075132 |
LogP: | 2.74490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2014243509-A1 | Near infrared fluorogen and fluorescent activating proteins for in vivo imaging and live-cell biosensing | 20130225 |
US-9023998-B2 | Near infrared fluorogen and fluorescent activating proteins for in vivo imaging and live-cell biosensing | 20130225 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
JP-2011001309-A | Oxindole derivatives and neuronal cell death inhibitors | 20090619 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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