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CAS No.: | 112-65-2 |
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Name: | Dodecylguanidine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C13H29N3 |
Molecular Weight: | 227.39 |
Synonyms: | Guanidine,dodecyl- (6CI,7CI,8CI,9CI);1-Dodecylguanidine;Dodecylguanidine;Verichem N 2000; |
EINECS: | 237-030-0 |
Density: | 0.95 g/cm3 |
Melting Point: | 136oC |
Boiling Point: | 352.8 °C at 760 mmHg |
Flash Point: | 167.2 °C |
PSA: | 99.20000 |
LogP: | 4.67220 |
The CAS register number of Dodecylguanidine is 112-65-2. It also can be called as Guanidine, N-dodecyl- and the IUPAC name about this chemical is 2-dodecylguanidine. The molecular formula about this chemical is C13H29N3 and molecular weight is 227.39.
Physical properties about Dodecylguanidine are: (1)ACD/LogP: 4.86; (2)ACD/LogD (pH 5.5): 2.86; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 28.89; (5)ACD/BCF (pH 7.4): 29.57; (6)ACD/KOC (pH 5.5): 104.43; (7)ACD/KOC (pH 7.4): 106.89; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 18.84Å2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 69.15 cm3; (14)Molar Volume: 239.3 cm3; (15)Polarizability: 27.41x10-24cm3; (16)Surface Tension: 35.1 dyne/cm; (17)Flash Point: 167.2 °C; (18)Enthalpy of Vaporization: 59.77 kJ/mol; (19)Boiling Point: 352.8 °C at 760 mmHg; (20)Vapour Pressure: 3.74E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(=C(\N)N)\CCCCCCCCCCCC
(2)InChI: InChI=1/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
(3)InChIKey: HILAYQUKKYWPJW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
(5)Std. InChIKey: HILAYQUKKYWPJW-UHFFFAOYSA-N