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| CAS No.: | 18514-52-8 |
|---|---|
| Name: | 2,3-DIAMINOBUT-2-ENEDINITRILE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H4N4 |
| Molecular Weight: | 108.103 |
| Synonyms: | Butenedinitrile,diamino- (8CI);1,2-Diamino-1,2-dicyanoethylene;2,3-Diamino-2-butenedinitrile;2,3-Dicyanoethenediamine;Diaminomaleodinitrile; |
| EINECS: | 214-697-6 |
| Density: | 1.319 g/cm3 |
| Melting Point: | 178 °C |
| Boiling Point: | 444.7 °C at 760 mmHg |
| Flash Point: | 222.7 °C |
| Hazard Symbols: |
 T, F
|
| PSA: | 99.62000 |
| LogP: | 0.56316 |
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- Total:11 Page 1 of 1 1
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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