trans-4-(Diethylamino)cinnamaldehyde supplier

Name
TRANS-4-(DIETHYLAMINO)CINNAMALDEHYDE
EINECS
CAS No. 22411-59-2
Article Data5
CAS DataBase
Density 1.022 g/cm³
Solubility
Melting Point 74-76℃
Formula C₁₃H₁₇NO
Boiling Point 355.4 °C at 760 mmHg
Molecular Weight 203.284
Flash Point 136.2 °C
Transport Information
Appearance
Safety 26-27-36/37/39-36/37
Risk Codes 36/37/38-43
Molecular Structure
Hazard Symbols Xi
Synonyms Cinnamaldehyde,p-(diethylamino)- (6CI,8CI);3-[p-(Dimethylamino)phenyl]acrolein;4-Diethylaminocinnamaldehyde;4-Diethylaminocinnamic aldehyde;NSC 166362;p-Diethylaminocinnamaldehyde;
PSA 20.31000
LogP 2.74490

trans-4-(Diethylamino)cinnamaldehyde Specification

The trans-4-(Diethylamino)cinnamaldehyde, with the CAS registry number 22411-59-2, has the systematic name of (2E)-3-[4-(diethylamino)phenyl]prop-2-enal. The molecular formula of the chemical is C₁₃H₁₇NO. And it is a kind of irritant chemical, so you should be cautious while dealing with it: (1)Wear suitable protective clothing, gloves and eye/face protection; (2)Take off immediately all contaminated clothing; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 20.31 Å²; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 65.9 cm³; (9)Molar Volume: 198.7 cm³; (10)Polarizability: 26.12×10^-24cm³; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.022 g/cm³; (13)Flash Point: 136.1 °C; (14)Enthalpy of Vaporization: 60.05 kJ/mol; (15)Boiling Point: 355.4 °C at 760 mmHg; (16)Vapour Pressure: 3.14E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C\C=C\c1ccc(N(CC)CC)cc1
(2)InChI: InChI=1/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+
(3)InChIKey: JXXOTBSUZDDHLT-AATRIKPKBS

Product Name

TRANS-4-(DIETHYLAMINO)CINNAMALDEHYDE

trans-4-(Diethylamino)cinnamaldehyde Specification

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