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69966-50-3

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Basic Information
CAS No.: 69966-50-3
Name: N1-METHYL-N1-(3-PYRIDYLMETHYL)ACETAMIDE
Molecular Structure:
Molecular Structure of 69966-50-3 (N1-METHYL-N1-(3-PYRIDYLMETHYL)ACETAMIDE)
Formula: C9H12N2O
Molecular Weight: 164.207
Synonyms: Acetamide,N-methyl-N-(3-pyridylmethyl)- (7CI);N-methyl-N-(pyridin-3-ylmethyl)acetamide;Acetamide, N-methyl-N-(3-pyridinylmethyl)-;N-Methyl-N-(pyridin-3-ylmethyl)acetamide;
Density: 1.074 g/cm3
Boiling Point: 309.9 °C at 760 mmHg
Flash Point: 141.2 °C
Hazard Symbols: Xi,Xn
Risk Codes: 22
PSA: 33.20000
LogP: 1.05990
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Specification

The Acetamide,N-methyl-N-(3-pyridinylmethyl)-, with the CAS registry number 69966-50-3, has the systematic name of N-methyl-N-(pyridin-3-ylmethyl)acetamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H12N2O.

The characteristics of Acetamide,N-methyl-N-(3-pyridinylmethyl)- are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 33.2 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 46.9 cm3; (9)Molar Volume: 152.8 cm3; (10)Polarizability: 18.59×10-24cm3; (11)Surface Tension: 41.6 dyne/cm; (12)Density: 1.074 g/cm3; (13)Flash Point: 141.2 °C; (14)Enthalpy of Vaporization: 55.07 kJ/mol; (15)Boiling Point: 309.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000621 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N(C)Cc1cccnc1)C
(2)InChI: InChI=1/C9H12N2O/c1-8(12)11(2)7-9-4-3-5-10-6-9/h3-6H,7H2,1-2H3
(3)InChIKey: UVUKRYCSGXKFEL-UHFFFAOYAI