-
Name
1H-1,2,4-TRIAZOLE-1-CARBOXAMIDINE MONOHYDROCHLORIDE
- EINECS 606-331-2
- CAS No. 19503-26-5
- Density
- Solubility Soluble in water
- Melting Point 215-220 °C
- Formula C3H5N5.HCl
- Boiling Point 294 °C at 760 mmHg
- Molecular Weight 147.57
- Flash Point 131.6 °C
- Transport Information
- Appearance
- Safety 26-36/37
- Risk Codes 22-36
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms 1H-1,2,4-Triazole-1-carboxamidine,monohydrochloride (8CI);1H-1,2,4-Triazole-1-carboximidamide, monohydrochloride(9CI);[1,2,4]Triazole-1-carboxamidine hydrochloride;
- PSA 80.58000
- LogP 0.62170
1H-1,2,4-Triazole-1-carboxamidine hydrochloride Specification
The 1H-1,2,4-Triazole-1-carboxamidine hydrochloride, with the cas registry number 19503-26-5, is also known as 1-Amidino-1H-1,2,4-triazole hydrochloride. This chemical's molecular formula is C3H5N5.HCl and formula weight is 147.57. What's more, its systematic name is called 1-(Diaminomethylidene)-1H-1,2,4-triazol-1-ium chloride.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 32.26 Å2 ; (10)Flash Point: 131.6 °C; (11)Melting Point: 215-220 °C; (12)Enthalpy of Vaporization: 54.43 kJ/mol; (13)Boiling Point: 294 °C at 760 mmHg; (14)Vapour Pressure: 0.00126 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed and it irritates to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].n1c[n+](nc1)=C(/N)N
(2)InChI: InChI=1/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H
(3)InChIKey: JDDXNENZFOOLTP-UHFFFAOYAM
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- 195053-89-5
- 195057-83-1
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- 195062-61-4
- 195062-62-5
- 1950-68-1
- 1950-69-2
- 195073-19-9
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