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4080-98-2

Basic Information
CAS No.: 4080-98-2
Name: 1,12-Dodecanedioyl dihydrazide
Article Data: 2
Molecular Structure:
Molecular Structure of 4080-98-2 (1,12-Dodecanedioyl dihydrazide)
Formula: C12H26N4O2
Molecular Weight: 258.364
Synonyms: Dodecanedioicacid, dihydrazide (6CI,7CI,8CI,9CI);DDH-S;Dodecanedioic dihydrazide;Dodecanedioic acid,1,12-dihydrazide;N12 (hydrazide);
Density: 1.051 g/cm3
Melting Point: 190 °C
Boiling Point: 519.3 °C at 760 mmHg
Flash Point: 267.8 °C
PSA: 110.24000
LogP: 3.04960
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    Specifications CAS No.: 4080-98-2 Other Names: 1,12-Dodecanedioyl dihydrazide MF: C12H26N4O2 EINECS No.: 4080-98-2 Place of Origin: Shandong, China (Mainland) Type: Other Purity: 99% Brand Name: Luyunjia Model Number: 4080-98-2 App

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Specification

The 1,12-Dodecanedioyl dihydrazide with cas registry number of 4080-98-2, has the systematic name of dodecanedihydrazide. And its IUPAC name is also dodecanedihydrazide. Besides this, it is also named 1,12-Dodecanedioyl Dihydrazide.

Physical properties about this chemical are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.02; (8)ACD/KOC (pH 7.4): 31.37; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 71.96 cm3; (15)Molar Volume: 245.8 cm3; (16)Polarizability: 28.52×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Enthalpy of Vaporization: 79.2 kJ/mol; (19)Vapour Pressure: 6.93E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(NN)CCCCCCCCCCC(=O)NN;
(2)InChI: InChI=1/C12H26N4O2/c13-15-11(17)9-7-5-3-1-2-4-6-8-10-12(18)16-14/h1-10,13-14H2,(H,15,17)(H,16,18);
(3)InChIKey: GRGBENNNGZARRZ-UHFFFAOYAO;
(4)Std. InChI: InChI=1S/C12H26N4O2/c13-15-11(17)9-7-5-3-1-2-4-6-8-10-12(18)16-14/h1-10,13-14H2,(H,15,17)(H,16,18);
(5)Std. InChIKey: GRGBENNNGZARRZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01360,