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Basic Information
CAS No.: 5875-26-3
Name: 11-BROMOUNDECANAMIDE 97
Article Data: 5
Molecular Structure:
Molecular Structure of 5875-26-3 (11-BROMOUNDECANAMIDE  97)
Formula: C11H22BrNO
Molecular Weight: 264.206
Synonyms: 11-Bromoundecanamide;NSC 403235;
Density: 1.178 g/cm3
Melting Point: 88-92 °C (lit.)
Boiling Point: 383.5 °C at 760 mmHg
Flash Point: 185.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 43.09000
LogP: 4.07780
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Specification

The Undecanamide, 11-bromo-, with the CAS registry number of 5875-26-3, is also known as 11-Bromoundecanamide 97. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C11H22BrNO and molecular weight is 264.205. What's more, its systematic name is called 11-Bromoundecanamide. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Undecanamide, 11-bromo- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 229.57; (6)ACD/BCF (pH 7.4): 229.57; (7)ACD/KOC (pH 5.5): 1704.32; (8)ACD/KOC (pH 7.4): 1704.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 64.3 cm3; (15)Molar Volume: 224 cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.178 g/cm3; (18)Flash Point: 185.7 °C; (19)Enthalpy of Vaporization: 63.21 kJ/mol; (20)Boiling Point: 383.5 °C at 760 mmHg; (21)Vapour Pressure: 4.37E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCCCCCC(=O)N
(2) InChI: InChI=1/C11H22BrNO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H2,13,14)
(3) InChIKey: NHUWVMSJSKNFHL-UHFFFAOYAJ