Products Categories
CAS No.: | 44956-51-6 |
---|---|
Name: | N-(2-GUANIDINOETHYL)GUANIDINE |
Molecular Structure: | |
Formula: | C4H12N6 |
Molecular Weight: | 144.179 |
Synonyms: | Guanidine,1,1'-ethylenedi- (6CI,7CI);1,2-Diguanidinoethane;NSC 227865; |
Density: | 1.54 g/cm3 |
Boiling Point: | 376.4 °C at 760 mmHg |
Flash Point: | 181.4 °C |
PSA: | 123.80000 |
LogP: | 0.33440 |
What can I do for you?
Get Best Price
The Guanidine, N, N'-1, 2-ethanediylbis-, with the CAS registry number of 44956-51-6, is also known as 1, 2-Diguanidinoethane. This chemical's molecular formula is C4H12N6 and molecular weight is 144.18. What's more, its IUPAC name is 2-[2-(Diaminomethylideneamino)ethyl]guanidine.
Physical properties about Guanidine, N, N'-1, 2-ethanediylbis- are: (1)ACD/LogP: -1.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.89; (4)ACD/LogD (pH 7.4): -4.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.68 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 34.74 cm3; (15)Molar Volume: 93.3 cm3; (16)Surface Tension: 77.5 dyne/cm; (17)Density: 1.54 g/cm3; (18)Flash Point: 181.4 °C; (19)Enthalpy of Vaporization: 62.4 kJ/mol; (20)Boiling Point: 376.4 °C at 760 mmHg; (21)Vapour Pressure: 7.29E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N(=C(\N)N)\CC/N=C(/N)N
(2) InChI: InChI=1/C4H12N6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H4,5,6,9)(H4,7,8,10)
(3) InChIKey: MRXYVMXWTBRRSB-UHFFFAOYAU