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112-01-6

Basic Information
CAS No.: 112-01-6
Name: Dodecanamide
Molecular Structure:
Molecular Structure of 112-01-6 (Dodecanamide)
Formula: C12H25NO
Molecular Weight: 199.33
Synonyms: N,N-dimethyl Dodecanamide
EINECS: 214-298-7
Density: 0.876g/cm3
Melting Point: 250℃ (dec.)
Boiling Point: 335.1 °C at 760 mmHg
Flash Point: 156.5 °C
Appearance: Colorless and transparent liquid
Hazard Symbols: R36/37/38:;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 0.00000
LogP: 1.61750
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Specification

The Dodecanamide, with CAS registry number 112-01-6, has the systematic name of dodecanamide. Besides this, it is also called Lauramide and Lauramine. And the chemical formula of this chemical is C12H25NO. What's more, its EINECS is 214-298-7.

Physical properties of Dodecanamide: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.08; (4)ACD/LogD (pH 7.4): 4.08; (5)ACD/BCF (pH 5.5): 741.65; (6)ACD/BCF (pH 7.4): 741.65; (7)ACD/KOC (pH 5.5): 3945.39; (8)ACD/KOC (pH 7.4): 3945.39; (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: 1.45; (14)Molar Refractivity: 61.2 cm3; (15)Molar Volume: 227.4 cm3; (16)Polarizability: 24.26×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.876 g/cm3; (19)Flash Point: 156.5 °C; (20)Enthalpy of Vaporization: 57.81 kJ/mol; (21)Boiling Point: 335.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000122 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CCCCCCCCCCC
(2)InChI: InChI=1/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)
(3)InChIKey: ILRSCQWREDREME-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)
(5)Std. InChIKey: ILRSCQWREDREME-UHFFFAOYSA-N