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5399-22-4

Basic Information
CAS No.: 5399-22-4
Name: Dodecanohydrazide
Article Data: 1
Molecular Structure:
Molecular Structure of 5399-22-4 (Dodecanohydrazide)
Formula: C12H26N2O
Molecular Weight: 214.351
Synonyms: NSC 1136;Lauroylhydrazide;Lauroylhydrazine;Dodecanohydrazide;Dodecanoic hydrazide;Lauricacid, hydrazide (6CI,8CI);
Density: 0.907 g/cm3
Melting Point: 104.5 °C(Solv: ethanol (64-17-5))
Boiling Point: 360.3 °C at 760 mmHg
Flash Point: 171.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 55.12000
LogP: 3.98840
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Specification

The IUPAC name of Dodecanohydrazide is dodecanehydrazide. With the CAS registry number 5399-22-4, it is also named as Lauroylhydrazide. The product should be sealed in a dark, cool and dry place. In addition, its molecular formula is C12H26N2O and molecular weight is 214.35.

The other characteristics of Dodecanohydrazide can be summarized as: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 364; (6)ACD/BCF (pH 7.4): 366.05; (7)ACD/KOC (pH 5.5): 2366.7; (8)ACD/KOC (pH 7.4): 2380.02; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 64.8 cm3; (15)Molar Volume: 236.2 cm3; (16)Polarizability: 25.68×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 171.7 °C; (20)Enthalpy of Vaporization: 60.6 kJ/mol; (21)Boiling Point: 360.3 °C at 760 mmHg; (22)Vapour Pressure: 2.24E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NN)CCCCCCCCCCC
(2)InChI: InChI=1/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15)
(3)InChIKey: YTQHSQQSLTYMSL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15)
(5)Std. InChIKey: YTQHSQQSLTYMSL-UHFFFAOYSA-N