Melem supplier | CasNO.1502-47-2

Name
1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine
EINECS 216-122-4
CAS No. 1502-47-2
Article Data38
CAS DataBase
Density 2.984 g/cm³
Solubility 930μg/L at 20℃
Melting Point
Formula C₆H₆N₁₀
Boiling Point 440.311 °C at 760 mmHg
Molecular Weight 218.181
Flash Point 220.093 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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);
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

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

A: 1502-47-2
melem

B: 7664-41-7
ammonia

Conditions

Conditions	Yield
heating at 350°C for 30-40 min;
heating at 400°C for 1 h in vac.;

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

A: 1502-47-2
melem

B: 3576-88-3
melam

Conditions

Conditions	Yield
byproducts: mellone; below 250°C;

: 1934-75-4
sodium dicyanamide

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

B: C4H5N7

C: C4H8N8

D: C9H12N16

E: C12H15N21

F: 1502-47-2
melem

G: 3576-88-3
melam

H: 90030-88-9
5,8-diamino-1,3,4,6,7,9,9b-heptaaza-1H-phenalen-2-one

I: 645-92-1
ammeline

J: 4719-03-3
2,4,6-tris(cyanoamino)-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: sodium dicyanamide With water; nitric acid Inert atmosphere; Stage #2: With ammonium hydroxide

...Expand

: 1-ethyl-3-methylimidazolium dicyanamide

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

B: C4H5N7

C: C5H7N9

D: C9H12N16

E: C12H15N21

F: 1502-47-2
melem

G: 3576-88-3
melam

H: 90030-88-9
5,8-diamino-1,3,4,6,7,9,9b-heptaaza-1H-phenalen-2-one

I: 645-92-1
ammeline

J: 4719-03-3
2,4,6-tris(cyanoamino)-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 1-ethyl-3-methylimidazolium dicyanamide With water; nitric acid Stage #2: With ammonium hydroxide

...Expand

: 448245-52-1
1-buthyl-3-methylimidazolium dicyanamide

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

B: C4H5N7

C: C4H8N8

D: C9H12N16

E: C12H15N21

F: 1502-47-2
melem

G: 3576-88-3
melam

H: 90030-88-9
5,8-diamino-1,3,4,6,7,9,9b-heptaaza-1H-phenalen-2-one

I: 645-92-1
ammeline

J: 4719-03-3
2,4,6-tris(cyanoamino)-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 1-buthyl-3-methylimidazolium dicyanamide With nitric acid Stage #2: With water Stage #3: With ammonium hydroxide

...Expand

: 3576-88-3
melam

: 1502-47-2
melem

Conditions

Conditions	Yield
at 389℃;

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

A: 1502-47-2
melem

B: dimelem

C: C18H12N28

Conditions

Conditions	Yield
at 450℃; for 12h; Inert atmosphere;

...Expand

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

A: 1502-47-2
melem

B: 3576-88-3
melam

Conditions

Conditions	Yield
With potassium chloride; lithium chloride at 499.84℃; for 0.166667h; Time; Sealed tube;

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

A: 1502-47-2
melem

B: 3576-88-3
melam

Conditions

Conditions	Yield
With potassium chloride; lithium chloride at 499.84℃; for 0.166667h; Sealed tube;

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

: 1502-47-2
melem

Conditions

Conditions	Yield
With potassium chloride; lithium chloride at 499.84℃; for 0.333333h; Reagent/catalyst; Time; Sealed tube;

: 57-13-6
urea

: 1502-47-2
melem

Conditions

Conditions	Yield
With oxygen Heating;

: 1502-47-2
melem

: 880383-72-2
2,5,8-tris(trichlorophosphinimino)-s-heptazine

Conditions

Conditions	Yield
With phosphorus pentachloride In 1,2-dichloro-benzene for 45h; Kirsanov reaction; Reflux;	91%
With phosphorus pentachloride In trichlorophosphate for 20h; Heating / reflux;

: 12093-10-6
ferrocenecarboxaldehyde

: 1502-47-2
melem

: C65H67Fe5N19

Conditions

Conditions	Yield
In dimethyl sulfoxide at 180℃; for 40h; Inert atmosphere;	90%

: 75-75-2
methanesulfonic acid

: 1502-47-2
melem

: 3CH4O3S*2C6H6N10

Conditions

Conditions	Yield
In water Reflux;	49%

: 1502-47-2
melem

: melemium trihydrogensulfate

Conditions

Conditions	Yield
With sulfuric acid In water at 4℃; Inert atmosphere;	39%

: 1502-47-2
melem

: 2420-87-3
3,3',4,4'-biphenyltetracarboxylic anhydride

: C28H14N20O4

Conditions

Conditions	Yield
at 300℃; for 4h; Inert atmosphere;	24.4%

: 1502-47-2
melem

: cyameluric acid tripotassium salt

Conditions

Conditions	Yield
With potassium hydroxide In water at 160℃; for 6h; Schlenk technique;	20%

: 75-75-2
methanesulfonic acid

: 1502-47-2
melem

2CH4O3S*C6H6N10: 2CH4O3S*C6H6N10

Conditions

Conditions	Yield
In water Reflux;	18%

: 1502-47-2
melem

: 88-95-9
Phthaloyl dichloride

: 2,5,8-triphthalimido-tri-s-triazine

Conditions

Conditions	Yield
In 1,2-dichloro-benzene for 22h; Inert atmosphere; Reflux;	10.2%

: 1502-47-2
melem

: 645-93-2
ammelide

Conditions

Conditions	Yield
With sulfuric acid
With nitric acid
With potassium hydroxide

: 1502-47-2
melem

: 108-80-5
cyanuric acid

Conditions

Conditions	Yield
With acid

: 7664-93-9
sulfuric acid

: 1502-47-2
melem

A: 645-93-2
ammelide

B: 7664-41-7
ammonia

Conditions

Conditions	Yield
at 150℃;

...Expand

: 1502-47-2
melem

concentrated KOH-solution: concentrated KOH-solution

A: 645-93-2
ammelide

B: 7664-41-7
ammonia

...Expand

: 1502-47-2
melem

: 1252004-04-8
2,5,8-tris(trichlorophosphinimino)-s-heptazine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphorus pentachloride / 1,2-dichloro-benzene / 45 h / Reflux 2: 1,2-dichloro-ethane View Scheme

: 1502-47-2
melem

: tris(2,5,8-triphenoxyphosphinimino)-s-heptazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphorus pentachloride / 1,2-dichloro-benzene / 45 h / Reflux 2: 1,2-dichloro-ethane / 0 - 20 °C / Inert atmosphere View Scheme

Melem 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.

Product Name

1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine

Synthetic route

Melem Specification

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