CAS No.1502-47-2,1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1502-47-2
Name:	1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine
Article Data:	38

Formula:	C₆H₆N₁₀
Molecular Weight:	218.181
Synonyms:	1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8-triamine;Cyamelurotriamide;Triamino-s-heptazine;1,3,4,6,7,9,9b-Heptaazaphenalene, 2,5,8-triamino- (6CI,7CI,8CI);
EINECS:	216-122-4
Density:	2.984 g/cm³
Boiling Point:	440.311 °C at 760 mmHg
Flash Point:	220.093 °C
Solubility:	930μg/L at 20℃
PSA:	159.81000
LogP:	-0.04730

Synthetic route

: 108-78-1
2,4,6-triamino-s-triazine

: 1502-47-2
melem

Conditions

Conditions	Yield
With ammonia at 250 - 385℃; for 24h;	96%
at 385 - 390℃; for 69h;	95.5%
at 400℃; for 4h;	85%

: 1147550-11-5
ammonium thiocyanate

: 1502-47-2
melem

Conditions

Conditions	Yield
at 260℃;

: 638-16-4
trithiocyanuric acid

A: 75-15-0
carbon disulfide

B: 463-56-9
thiocyanic acid

C: 1502-47-2
melem

Conditions

Conditions	Yield
at 360℃;

...Expand

trithiocyanuric acid: trithiocyanuric acid

: 1502-47-2
melem

Conditions

Conditions	Yield
at 360℃;

: 1147550-11-5
ammonium thiocyanate

A: 1502-47-2
melem

B melam thiocyanate: melam thiocyanate

C melone: melone

D melamine thiocyanate: melamine thiocyanate

Conditions

Conditions	Yield
at 200 - 300℃;

...Expand

: 127099-85-8, 780722-26-1
dicyandiamide

: 1502-47-2
melem

Conditions

Conditions	Yield
at 450℃; for 5h;

: 420-04-2
CYANAMID

: 1502-47-2
melem

Conditions

Conditions	Yield
at 450℃; for 5h;

: 14265-42-0
ammonium dicyanamide

: 1502-47-2
melem

Conditions

Conditions	Yield
at 450℃; for 5h;

: 108-78-1
2,4,6-triamino-s-triazine

A poly(aminoimino)heptazine: poly(aminoimino)heptazine

B: 1502-47-2
melem

Conditions

Conditions	Yield
at 630℃;

: 57-13-6
urea

A: 108-78-1
2,4,6-triamino-s-triazine

B: 75-13-8
isocyanic acid

C: 1502-47-2
melem

Conditions

Conditions	Yield
aluminum oxide at 400℃; under 2250.23 Torr;

...Expand

Downstream Products

108-80-5

7664-41-7

645-93-2

Total:65 Page 1 of 2 1 2 Next>>

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Specification

The Melem, with the CAS registry number 1502-47-2, is also known as Triamino-s-heptazine. Its EINECS number is 216-122-4. This chemical's molecular formula is C₆H₆N₁₀ and molecular weight is 218.18. What's more, its systematic name is 1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8-triamine. This chemical is used as chemical reagents, organic intermediates, fine chemicals, and it is also used in pharmaceutical research and development.

Physical properties of Melem are: (1)ACD/LogP: -5.227; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.23; (4)ACD/LogD (pH 7.4): -5.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 155.46 Å²; (13)Index of Refraction: 2.78; (14)Molar Refractivity: 50.57 cm³; (15)Molar Volume: 73.116 cm³; (16)Polarizability: 20.047×10^-24cm³; (17)Surface Tension: 267.90 dyne/cm; (18)Density: 2.984 g/cm³; (19)Flash Point: 220.093 °C; (20)Enthalpy of Vaporization: 69.742 kJ/mol; (21)Boiling Point: 440.311 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\N=C2\N=C(/N=C3/N=C(\N=C/1N23)N)N)N
(2)Std. InChI: InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15)
(3)Std. InChIKey: YSRVJVDFHZYRPA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC	inhalation	> 870mg/m³/4H (870mg/m³)		Toksikologicheskii Vestnik. Vol. (1), Pg. 61, 1995.
mouse	LD50	intraperitoneal	1998mg/kg (1998mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Toksikologicheskii Vestnik. Vol. (1), Pg. 61, 1995.
rat	LC	inhalation	> 870mg/m³/4H (870mg/m³)		Toksikologicheskii Vestnik. Vol. (1), Pg. 61, 1995.
rat	LD50	intraperitoneal	2170mg/kg (2170mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Toksikologicheskii Vestnik. Vol. (1), Pg. 61, 1995.
rat	LDLo	oral	1250mg/kg (1250mg/kg)		Toksikologicheskii Vestnik. Vol. (1), Pg. 61, 1995.