Erucamide (112-84-5)

Molecule structure of Erucamide (CAS NO.112-84-5):

IUPAC Name: (Z)-Docos-13-enamide 
Molecular Weight: 337.58292 g/mol
Molecular Formula: C₂₂H₄₃NO 
Density: 0.874 g/cm³ 
Melting Point: 79-81 °C(lit.)
Boiling Point: 474.2 °C at 760 mmHg 
Flash Point: 240.6 °C
Index of Refraction: 1.469
Molar Refractivity: 107.59 cm³
Molar Volume: 386 cm³
Polarizability: 42.65×10^-24 cm³
Surface Tension: 33.4 dyne/cm 
Enthalpy of Vaporization: 73.75 kJ/mol
Vapour Pressure: 3.69E-09 mmHg at 25 °C 
Water Solubility: 0.200 mg/L 
Storage Temp.: 0-6 °C
XLogP3-AA: 8.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 19
Tautomer Count: 2
Exact Mass: 337.334465
MonoIsotopic Mass: 337.334465
Topological Polar Surface Area: 43.1
Heavy Atom Count: 24
Complexity: 286
Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)N
Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N
InChI: InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
InChIKey: UAUDZVJPLUQNMU-KTKRTIGZSA-N
EINECS: 204-009-2
Product Categories: Amides;Chiral Compounds

 Erucamide (CAS NO.112-84-5) is used for the synthesis of photosensitive materials.

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1
Hazardous Substances Data: 112-84-5(Hazardous Substances Data) 

 Erucamide (CAS NO.112-84-5) is also named as 13-Docosenamide ; 13-Docosenamide, (Z)- ; Erucic acid amide ; HSDB 5577 ; UNII-0V89VY25BN ; (Z)-Docos-13-enamide ; 13-Docosenamide, (13Z)- . Erucamide (CAS NO.112-84-5) is white flaky crystal. It is soluble in ethanol, ether and other organic solvents. It is stable and incompatible with strong oxidizing agents.