Name: Dodecylguanidine
SKU: 112-65-2

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Basic Information

Molecular Structure:
CAS No.:	112-65-2
Name:	Dodecylguanidine

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

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Specification

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 C₁₃H₂₉N₃and 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

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Specification