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84227-68-9

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Basic Information
CAS No.: 84227-68-9
Name: N-[2-(AMINOMETHYL)BENZYL]-N,N-DIETHYLAMINE
Article Data: 2
Molecular Structure:
Molecular Structure of 84227-68-9 (N-[2-(AMINOMETHYL)BENZYL]-N,N-DIETHYLAMINE)
Formula: C12H20N2
Molecular Weight: 192.304
Synonyms: 1,2-Benzenedimethanamine,N,N-diethyl- (9CI);
Density: 0.966 g/cm3
Boiling Point: 271.6 °C at 760 mmHg
Flash Point: 111.5 °C
PSA: 29.26000
LogP: 2.68740
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Specification

The 1,2-Benzenedimethanamine,N1,N1-diethyl-, with the CAS registry number 84227-68-9, is also known as N-[2-(Aminomethyl)benzyl]-N,N-diethylamine. This chemical's molecular formula is C12H20N2 and molecular weight is 192.3006. What's more, its systematic name and its IUPAC name are the same which is called N-[2-(Aminomethyl)benzyl]-N-ethylethanamine.

Physical properties about 1,2-Benzenedimethanamine,N1,N1-diethyl- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 61.87 cm3; (15)Molar Volume: 199 cm3; (16)Surface Tension: 38.1 dyne/cm; (17)Density: 0.966 g/cm3; (18)Flash Point: 111.5 °C; (19)Enthalpy of Vaporization: 50.99 kJ/mol; (20)Boiling Point: 271.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00637 mmHg at 25 °C.

Uses of 1,2-Benzenedimethanamine,N1,N1-diethyl-: it is used to produce other chemicals. For example, it is used to produce N,N-Diethyl-2-(p-nitrobenzamidomethyl)-benzylamine.



The reaction occurs with 4-Nitro-benzoyl chloride and solvent Benzene heating for 3 hours. The yield is 60 %.

You can still convert the following datas into molecular structure:
(1) SMILES: N(CC)(Cc1ccccc1CN)CC
(2) InChI: InChI=1/C12H20N2/c1-3-14(4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,9-10,13H2,1-2H3
(3) InChIKey: CVVJKBIPNSXFSQ-UHFFFAOYAP