CAS No.3641-14-3,Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3641-14-3
Name:	Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
Article Data:	7

Formula:	C₄H₆N₄O₂
Molecular Weight:	142.117
Synonyms:	s-Triazole-3-carboxylicacid, 5-amino-, methyl ester (7CI,8CI);3-Amino-5-(methoxycarbonyl)-1,2,4-triazole;NSC 139097;
EINECS:	222-869-7
Density:	1.506 g/cm³
Melting Point:	218-222 °C(lit.)
Boiling Point:	379 °C at 760 mmHg
Flash Point:	183 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	93.89000
LogP:	-0.24530

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Specification

The Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate, with the CAS registry number 3641-14-3, is also known as 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, methyl ester. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Triazoles. Its EINECS registry number is 222-869-7. This chemical's molecular formula is C₄H₆N₄O₂ and molecular weight is 142.12. Its IUPAC name is called methyl 3-amino-1H-1,2,4-triazole-5-carboxylate.

Physical properties of Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate: (1)ACD/LogP: -0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.45; (8)ACD/KOC (pH 7.4): 6.97; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 32.87 cm³; (14)Molar Volume: 94.3 cm³; (15)Surface Tension: 84.1 dyne/cm; (16)Density: 1.505 g/cm³; (17)Flash Point: 183 °C; (18)Enthalpy of Vaporization: 62.69 kJ/mol; (19)Boiling Point: 379 °C at 760 mmHg; (20)Vapour Pressure: 6.06E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It also may cause sensitisation by skin contact. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=NC(=NN1)N
(2)InChI: InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)
(3)InChIKey: OSZNPKRMPBUQLB-UHFFFAOYSA-N