Acetamide, 2-iodo-N-1-pyrenyl- supplier

Name
N-(1-PYRENE)IODOACETAMIDE
EINECS
CAS No. 76936-87-3
Density 1.8 g/cm³
Solubility
Melting Point 225-227°C
Formula C₁₈H₁₂INO
Boiling Point 587.1 °C at 760 mmHg
Molecular Weight 385.20
Flash Point 308.8 °C
Transport Information
Appearance straw yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(1-Pyrenyl)iodoacetamide;
PSA 29.10000
LogP 5.03050

Acetamide, 2-iodo-N-1-pyrenyl- Specification

This chemical is called Acetamide, 2-iodo-N-1-pyrenyl-, and its systematic name is 2-iodo-N-(pyren-1-yl)acetamide. With the molecular formula of C₁₈H₁₂INO, its molecular weight is 385.20. The CAS registry number of this chemical is 76936-87-3. Additionally, its product classification codes are Coloring Agents; Fluorescent dyes; Indicators and Reagents; Luminescent Agents.

Other characteristics of the Acetamide, 2-iodo-N-1-pyrenyl- can be summarised as followings: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.08; (4)ACD/LogD (pH 7.4): 5.08; (5)ACD/BCF (pH 5.5): 4282.47; (6)ACD/BCF (pH 7.4): 4282.47; (7)ACD/KOC (pH 5.5): 13840.75; (8)ACD/KOC (pH 7.4): 13840.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.902; (14)Molar Refractivity: 99.7 cm³; (15)Molar Volume: 213.8 cm³; (16)Polarizability: 39.52×10^-24cm³; (17)Surface Tension: 74 dyne/cm; (18)Density: 1.8 g/cm³; (19)Flash Point: 308.8 °C; (20)Enthalpy of Vaporization: 87.67 kJ/mol; (21)Boiling Point: 587.1 °C at 760 mmHg; (22)Vapour Pressure: 9.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ICC(=O)Nc4ccc2ccc1cccc3c1c2c4cc3
2.InChI: InChI=1/C18H12INO/c19-10-16(21)20-15-9-7-13-5-4-11-2-1-3-12-6-8-14(15)18(13)17(11)12/h1-9H,10H2,(H,20,21)
3.InChIKey: CVEFIQVNOAJGDW-UHFFFAOYAZ

Product Name

N-(1-PYRENE)IODOACETAMIDE

Acetamide, 2-iodo-N-1-pyrenyl- Specification

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