CAS No.202931-85-9,(R)-1-N-BOC-BETA-PROLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	202931-85-9
Name:	(R)-1-N-BOC-BETA-PROLINE
Article Data:	2

Formula:	C₆H₁₁N₃O
Molecular Weight:	141.173
Synonyms:	(1-Propyl-1H-1,2,4-triazol-5-yl)methanol;
Density:	1.2 g/cm³
Boiling Point:	300.1 °C at 760 mmHg
Flash Point:	135.3 °C
PSA:	50.94000
LogP:	0.18040

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Specification

The 1H-1,2,4-Triazole-5-methanol,1-propyl-, with the CAS registry number 202931-85-9, is also known as (2-Propyl-2H-[1,2,4]triazol-3-yl)-methanol. This chemical's molecular formula is C₆H₁₁N₃O and molecular weight is 141.171. What's more, it has the systematic name (1-Propyl-1H-1,2,4-triazol-5-yl)methanol.

Physical properties about 1H-1,2,4-Triazole-5-methanol,1-propyl- 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): 15.45; (5)ACD/KOC (pH 7.4): 15.5; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 50.94 Å²; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 38.37 cm³; (12)Molar Volume: 117 cm³; (13)Polarizability: 15.21×10^-24cm³; (14)Surface Tension: 44.8 dyne/cm; (15)Density: 1.2 g/cm³; (16)Flash Point: 135.3 °C; (17)Enthalpy of Vaporization: 57.04 kJ/mol; (18)Boiling Point: 300.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00051 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCn1ncnc1CO
(2) InChI: InChI=1/C6H11N3O/c1-2-3-9-6(4-10)7-5-8-9/h5,10H,2-4H2,1H3
(3) InChIKey: OUXGHJCAIAMWRQ-UHFFFAOYAZ