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| CAS No.: | 1502-47-2 |
|---|---|
| Name: | 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine |
| Article Data: | 38 |
| Molecular Structure: | |
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| 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 |
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| 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 | Yield |
|---|---|
| at 260℃; |
| Conditions | Yield |
|---|---|
| at 360℃; |
- 1502-47-2
melem
| Conditions | Yield |
|---|---|
| at 360℃; |
- 127099-85-8, 780722-26-1
dicyandiamide
- 1502-47-2
melem
| Conditions | Yield |
|---|---|
| at 450℃; for 5h; |
| Conditions | Yield |
|---|---|
| at 450℃; for 5h; |
- 14265-42-0
ammonium dicyanamide
- 1502-47-2
melem
| Conditions | Yield |
|---|---|
| at 450℃; for 5h; |
| Conditions | Yield |
|---|---|
| at 630℃; |
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- 1504-38-7Benzoic acid, 2,4,6-trimethyl-, 2,4,6-trimethylphenyl ester
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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. |