Basic information
- Name:
2,4,7-Undecatrienal,nitrosohydrazone, (2E,4E,7E)-
- CAS No.:
76896-80-5
- Molecular Structure:
- Formula:
- C11H17N3O
- Molecular Weight:
- 207.2722
- Synonyms:
- 2,4,7-Undecatrienal,nitrosohydrazone, (?,E,E,E)-;FR 900190;Triacsin C;WS 1228A;1-hydroxy-3-(2',4',7'-undecatrienylidine)triazene;2,4,7-Undecatrienal nitrosohydrazone;N-(undeca-2,4,7-trienylideneamino)nitrous amide;
- Density:
- 0.941 g/cm3
- Boiling Point:
- 320.657 °C at 760 mmHg
- Flash Point:
- 147.728 °C
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Specification
The 2,4,7-Undecatrienal,nitrosohydrazone, (2E,4E,7E)-, with the CAS registry number 76896-80-5, has the systematic name of (3E)-1-oxo-3-[(2E,4E,7E)-undeca-2,4,7-trien-1-ylidene]triazane. It should be stored at -20°C. And the molecular formula of the chemical is C11H17N3O.
The characteristics of 2,4,7-Undecatrienal,nitrosohydrazone, (2E,4E,7E)- are as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 672; (6)ACD/BCF (pH 7.4): 672; (7)ACD/KOC (pH 5.5): 3676; (8)ACD/KOC (pH 7.4): 3676; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 53.82 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 63.07 cm3; (15)Molar Volume: 220.242 cm3; (16)Polarizability: 25.003×10-24cm3; (17)Surface Tension: 35.207 dyne/cm; (18)Density: 0.941 g/cm3; (19)Flash Point: 147.728 °C; (20)Enthalpy of Vaporization: 56.235 kJ/mol; (21)Boiling Point: 320.657 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=NN/N=C/C=C/C=C/C/C=C/CCC
(2)InChI: InChI=1/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
(3)InChIKey: NKTGCVUIESDXPU-YLEPRARLBF
