CAS No.63870-39-3,(5-AMINO-1H-1,2,4-TRIAZOL-3-YL)METHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63870-39-3
Name:	(5-AMINO-1H-1,2,4-TRIAZOL-3-YL)METHANOL
Article Data:	4

Formula:	C₃H₆N₄O
Molecular Weight:	114.11
Synonyms:	Acetic acid, hydroxy-, compd. with 5-amino-1H-1,2,4-triazole-3-methanol (1:1);ASINEX-REAG BAS 03825303;
Density:	1.623 g/cm³
Melting Point:	114-115 °C(Solv: ethanol (64-17-5))
Boiling Point:	461.3 °C at 760 mmHg
Flash Point:	232.8 °C
Hazard Symbols:	Xi
PSA:	87.82000
LogP:	-0.53960

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Specification

The (5-Amino-2H-1,2,4-triazol-3-yl)methanol, with the CAS registry number of 63870-39-3, is also known as ASINEX-REAG BAS 03825303. This chemical's molecular formula is C₃H₆N₄O and molecular weight is 114.11. What's more, its IUPAC name is (3-Amino-1H-1,2,4-triazol-5-yl)methanol. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about (5-Amino-2H-1,2,4-triazol-3-yl)methanol are: (1)ACD/LogP: -1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.5; (6)ACD/KOC (pH 7.4): 2.54; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.18 Å²; (11)Index of Refraction: 1.712; (12)Molar Refractivity: 27.55 cm³; (13)Molar Volume: 70.2 cm³; (14)Polarizability: 10.92×10^-24 cm³; (15)Surface Tension: 123.9 dyne/cm; (16)Density: 1.623 g/cm³; (17)Flash Point: 232.8 °C; (18)Enthalpy of Vaporization: 76.09 kJ/mol; (19)Boiling Point: 461.3 °C at 760 mmHg; (20)Vapour Pressure: 2.62E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1nc(nn1)N
(2) InChI: InChI=1/C3H6N4O/c4-3-5-2(1-8)6-7-3/h8H,1H2,(H3,4,5,6,7)
(3) InChIKey: WQWSMVWRGAFPJX-UHFFFAOYAL