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72236-22-7

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Basic Information
CAS No.: 72236-22-7
Name: N,N-diethyl-3-(hydroxymethyl)benzamide
Article Data: 1
Molecular Structure:
Molecular Structure of 72236-22-7 (N,N-diethyl-3-(hydroxymethyl)benzamide)
Formula: C12H17NO2
Molecular Weight: 207.13
Synonyms: N,N-Diethyl-m-hydroxymethylbenzamide;
Density: 1.082 g/cm3
Boiling Point: 383.097 °C at 760 mmHg
Flash Point: 185.491 °C
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Specification

The Benzamide,N,N-diethyl-3-(hydroxymethyl)-, with the CAS registry number 72236-22-7, is also known as N,N-Diethyl-m-hydroxymethylbenzamide. This chemical's molecular formula is C12H17NO2 and molecular weight is 207.13. What's more, both its IUPAC name and systematic name are the same which is called N,N-Diethyl-3-(hydroxymethyl)benzamide.

Physical properties about Benzamide,N,N-diethyl-3-(hydroxymethyl)- are: (1)ACD/LogP: 0.864; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.67; (6)ACD/BCF (pH 7.4): 2.67; (7)ACD/KOC (pH 5.5): 70.31; (8)ACD/KOC (pH 7.4): 70.31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 60.352 cm3; (15)Molar Volume: 191.554 cm3; (16)Polarizability: 23.925×10-24 cm3; (17)Surface Tension: 43.18 dyne/cm; (18)Density: 1.082 g/cm3; (19)Flash Point: 185.491 °C; (20)Enthalpy of Vaporization: 66.621 kJ/mol; (21)Boiling Point: 383.097 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(ccc1)CO)N(CC)CC
(2) InChI: InChI=1S/C12H17NO2/c1-3-13(4-2)12(15)11-7-5-6-10(8-11)9-14/h5-8,14H,3-4,9H2,1-2H3
(3) InChIKey: FRZJZRVZZNTMAW-UHFFFAOYSA-N