Morpholine,4-[(3-iodophenyl)methyl]- supplier

Name
4-(3-IODOBENZYL)MORPHOLINE
EINECS
CAS No. 731812-03-6
Density 1.604 g/cm³
Solubility
Melting Point 32 °C
Formula C₁₁H₁₄INO
Boiling Point 333.303 °C at 760 mmHg
Molecular Weight 303.143
Flash Point 155.377 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 4-(3-Iodobenzyl)morpholine;4-[(3-iodophenyl)methyl]morpholine;
PSA 12.47000
LogP 2.06130

Morpholine,4-[(3-iodophenyl)methyl]- Specification

The Morpholine,4-[(3-iodophenyl)methyl]-, with the CAS registry number 731812-03-6, has the systematic name of 4-(3-iodobenzyl)morpholine. It belongs to the product category of Aromatic Morpholines. And the molecular formula of the chemical is C₁₁H₁₄INO.

The characteristics of Morpholine,4-[(3-iodophenyl)methyl]- are as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 26; (8)ACD/KOC (pH 7.4): 322; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 65.692 cm³; (15)Molar Volume: 188.934 cm³; (16)Polarizability: 26.042×10^-24cm³; (17)Surface Tension: 47.148 dyne/cm; (18)Density: 1.604 g/cm³; (19)Flash Point: 155.377 °C; (20)Enthalpy of Vaporization: 57.615 kJ/mol; (21)Boiling Point: 333.303 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic2cc(CN1CCOCC1)ccc2
(2)InChI: InChI=1/C11H14INO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
(3)InChIKey: AXOCSNJJTDANIB-UHFFFAOYAN

Product Name

4-(3-IODOBENZYL)MORPHOLINE

Morpholine,4-[(3-iodophenyl)methyl]- Specification

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