CAS No.13516-27-3,Iminoctadine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13516-27-3
Name:	Iminoctadine
Article Data:	6

Formula:	C₁₈H₄₁N₇
Molecular Weight:	355.57
Synonyms:	Guanidine,1,1'-[iminobis(octamethylene)]di- (7CI,8CI);1,17-Diguanidino-9-azaheptadecane;Bis(8-guanidinooctyl)amine;Guanidine,N,N'''-(iminodi-8,1-octanediyl)bis-;
EINECS:	236-855-3
Density:	1.09 g/cm³
Melting Point:	143-144.2oC
Boiling Point:	558.4 °C at 760 mmHg
Flash Point:	291.5 °C
Hazard Symbols:	T+, N
Risk Codes:	21/22-26-37/38-41-50/53
Safety:	26-28-36/37/39-38-45-46-60-61-63
Transport Information:	UN 2588
PSA:	135.83000
LogP:	4.99610

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Specification

The Iminoctadine, with the CAS registry number 13516-27-3, is also known as 2, 2'-(Iminodioctane-8, 1-diyl)diguanidine. Its EINECS registry number is 236-855-3. This chemical's molecular formula is C₁₈H₄₁N₇ and molecular weight is 355.57. What's more, its IUPAC name is 2-[8-[8-(Diaminomethylideneamino)octylamino]octyl]guanidine. In addition, this chemical's classification codes are Agricultural Chemical; Fungicide, Bactericide, Wood Preservative.

Physical properties about Iminoctadine are: (1)ACD/LogP:; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.64; (4)ACD/LogD (pH 7.4): -2.62; (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: 7; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 40.92 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 102.32 cm³; (15)Molar Volume: 323.5 cm³; (16)Polarizability: 40.56×10^-24 cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 291.5 °C; (20)Enthalpy of Vaporization: 84.04 kJ/mol; (21)Boiling Point: 558.4 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-12 mmHg at 25 °C.

When you are using Iminoctadine, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. And this chemical is harmful in contact with skin and if swallowed. In addition, it is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this material and its container must be disposed of as hazardous waste. And you should avoid release it to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: N(=C(\N)N)\CCCCCCCCNCCCCCCCC/N=C(\N)N
(2) InChI: InChI=1/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
(3) InChIKey: RONFGUROBZGJKP-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	985mg/kg (985mg/kg)	Pesticide Manual. Vol. 9, Pg. 492, 1991.
mouse	LD50	oral	300mg/kg (300mg/kg)	"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A223, Pg. 1984,
rat	LC50	inhalation	73mg/m³/4H (73mg/m³)	Pesticide Manual. Vol. 9, Pg. 492, 1991.
rat	LD50	oral	300mg/kg (300mg/kg)	Pesticide Manual. Vol. 9, Pg. 492, 1991.
rat	LD50	skin	1500mg/kg (1500mg/kg)	Pesticide Manual. Vol. 9, Pg. 492, 1991.