1H-Imidazole-1-propanal supplier

Name
3-IMIDAZOL-1-YL-PROPIONALDEHYDE
EINECS
CAS No. 74917-06-9
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O
Boiling Point 295.2 °C at 760 mmHg
Molecular Weight 124.14052
Flash Point 132.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Imidazol-1-yl)propionaldehyde;
PSA 34.89000
LogP 0.47210

1H-Imidazole-1-propanal Specification

The 1H-Imidazole-1-propanal, with the CAS registry number 74917-06-9, is also known as 3-Imidazol-1-yl-propionaldehyde. This chemical's molecular formula is C₆H₈N₂O and molecular weight is 124.14052. What's more, its systematic name is called 3-(1H-Imidazol-1-yl)propanal.

Physical properties about 1H-Imidazole-1-propanal are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 13.4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 35.5 cm³; (15)Molar Volume: 113.1 cm³; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.09 g/cm³; (18)Flash Point: 132.3 °C; (19)Enthalpy of Vaporization: 53.49 kJ/mol; (20)Boiling Point: 295.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00155 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCCn1ccnc1
(2) InChI: InChI=1/C6H8N2O/c9-5-1-3-8-4-2-7-6-8/h2,4-6H,1,3H2
(3) InChIKey: MZLRDHQGSOZYCD-UHFFFAOYAW

Product Name

3-IMIDAZOL-1-YL-PROPIONALDEHYDE

1H-Imidazole-1-propanal Specification

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