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2-Butenedinitrile, 2,3-diamino-

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Name

2-Butenedinitrile, 2,3-diamino-

EINECS 214-697-6
CAS No. 18514-52-8 Density 1.319 g/cm3
PSA 99.62000 LogP 0.56316
Solubility N/A Melting Point 178 °C
Formula C4H4N4 Boiling Point 444.7 °C at 760 mmHg
Molecular Weight 108.103 Flash Point 222.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 18514-52-8 (2,3-DIAMINOBUT-2-ENEDINITRILE) Hazard Symbols ToxicT,FlammableF
Synonyms

Butenedinitrile,diamino- (8CI);1,2-Diamino-1,2-dicyanoethylene;2,3-Diamino-2-butenedinitrile;2,3-Dicyanoethenediamine;Diaminomaleodinitrile;

Article Data 4

2-Butenedinitrile, 2,3-diamino- Specification

This chemical is called 2-Butenedinitrile, 2,3-diamino-, and its systematic name is 2,3-diaminobut-2-enedinitrile. With the molecular formula of C4H4N4, its molecular weight is 108.10. The CAS registry number of this chemical is 18514-52-8. Additionally, its product category is Aliphatics.

Other characteristics of the 2-Butenedinitrile, 2,3-diamino- can be summarised as followings: (1)ACD/LogP: -2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.35; (4)ACD/LogD (pH 7.4): -2.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.25; (8)ACD/KOC (pH 7.4): 1.25; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.06 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 27.22 cm3; (15)Molar Volume: 81.9 cm3; (16)Polarizability: 10.79×10-24cm3; (17)Surface Tension: 80.7 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 222.7 °C; (20)Enthalpy of Vaporization: 70.25 kJ/mol; (21)Boiling Point: 444.7 °C at 760 mmHg; (22)Vapour Pressure: 4.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#CC(N)=C(C#N)N
2.InChI: InChI=1/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2
3.InChIKey: DPZSNGJNFHWQDC-UHFFFAOYAI

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