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1H-Imidazole-1-propanol

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Name

1H-Imidazole-1-propanol

EINECS
CAS No. 51390-23-9 Density 1.11 g/cm3
Solubility Melting Point
Formula C6H10N2O Boiling Point 326.3 °C at 760 mmHg
Molecular Weight 126.16 Flash Point 151.1 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 51390-23-9 (1H-Imidazole-1-propanol) Hazard Symbols
Synonyms

1-(3'-Hydroxypropyl)imidazole;3-(1H-Imidazol-1-yl)-1-propanol;3-(1-Imidazolyl)-1-propanol;

 

1H-Imidazole-1-propanol Specification

The 1H-Imidazole-1-propanol, with the CAS registry number 51390-23-9, is also known as 1-(3-Hydroxypropyl)-1H-imidazole. This chemical's molecular formula is C6H10N2O and molecular weight is 126.1564. Its IUPAC name is called 3-imidazol-1-ylpropan-1-ol.

Physical properties of 1H-Imidazole-1-propanol: (1)ACD/LogP: -0.55; (2)ACD/LogD (pH 5.5): -2.04; (3)ACD/LogD (pH 7.4): -0.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8.45; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 35.5 cm3; (13)Molar Volume: 113.1 cm3; (14)Surface Tension: 43.6 dyne/cm; (15)Density: 1.11 g/cm3; (16)Flash Point: 151.1 °C; (17)Enthalpy of Vaporization: 60.01 kJ/mol; (18)Boiling Point: 326.3 °C at 760 mmHg; (19)Vapour Pressure: 8.85E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN(C=N1)CCCO
(2)InChI: InChI=1S/C6H10N2O/c9-5-1-3-8-4-2-7-6-8/h2,4,6,9H,1,3,5H2
(3)InChIKey: RYZVYLGJZFNBND-UHFFFAOYSA-N

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