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Melem

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Name

Melem

EINECS 216-122-4
CAS No. 1502-47-2 Density 2.984 g/cm3
PSA 159.81000 LogP -0.04730
Solubility 930μg/L at 20℃ Melting Point N/A
Formula C6H6N10 Boiling Point 440.311 °C at 760 mmHg
Molecular Weight 218.181 Flash Point 220.093 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1502-47-2 (1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine) Hazard Symbols N/A
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);

Article Data 38

Melem Synthetic route

108-78-1

2,4,6-triamino-s-triazine

Conditions
ConditionsYield
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

Conditions
ConditionsYield
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
ConditionsYield
at 360℃;
trithiocyanuric acid

trithiocyanuric acid

Conditions
ConditionsYield
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
ConditionsYield
at 200 - 300℃;
Conditions
ConditionsYield
at 450℃; for 5h;
420-04-2

CYANAMID

Conditions
ConditionsYield
at 450℃; for 5h;
14265-42-0

ammonium dicyanamide

Conditions
ConditionsYield
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
ConditionsYield
at 630℃;

A

108-78-1

2,4,6-triamino-s-triazine

B

75-13-8

isocyanic acid

C

1502-47-2

melem

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

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.

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