N,N-Diethyl-3-(hydroxymethyl)benzamide supplier

Name
N,N-diethyl-3-(hydroxymethyl)benzamide
EINECS
CAS No. 72236-22-7
Article Data1
CAS DataBase
Density 1.082 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₂
Boiling Point 383.097 °C at 760 mmHg
Molecular Weight 207.13
Flash Point 185.491 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N,N-Diethyl-m-hydroxymethylbenzamide;
PSA
LogP

N,N-Diethyl-3-(hydroxymethyl)benzamide 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^-24cm³; (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

Product Name

N,N-diethyl-3-(hydroxymethyl)benzamide

N,N-Diethyl-3-(hydroxymethyl)benzamide Specification

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