1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)- supplier

Name
1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)-(9CI)
EINECS
CAS No. 183012-99-9
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₂O
Boiling Point 287.4 °C at 760 mmHg
Molecular Weight 138.169
Flash Point 127.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(1-methylethyl)-1H-imidazole-5-carbaldehyde;1-isopropyl-1H-imidazole-5-carbaldehyde;
PSA 34.89000
LogP 1.27650

1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)- Specification

The 1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)-, with the CAS registry number 183012-99-9, has the systematic name of 1-(1-methylethyl)-1H-imidazole-5-carbaldehyde. It belongs to the product category of Aminetertiary. And the molecular formula of this chemical is C₇H₁₀N₂O.

The physical properties of 1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)- are as following: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 3.58; (7)ACD/KOC (pH 5.5): 83.96; (8)ACD/KOC (pH 7.4): 86.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 39.74 cm³; (15)Molar Volume: 127.5 cm³; (16)Polarizability: 15.75×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 127.6 °C; (20)Enthalpy of Vaporization: 52.66 kJ/mol; (21)Boiling Point: 287.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00249 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cncn1C(C)C
(2)InChI: InChI=1/C7H10N2O/c1-6(2)9-5-8-3-7(9)4-10/h3-6H,1-2H3
(3)InChIKey: VGIWEUWQSDSUIF-UHFFFAOYAE

Product Name

1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)-(9CI)

1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)- Specification

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