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CAS No.: | 89292-79-5 |
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Name: | N,N-Dimethyl-N-[4-(piperazin-1-ylmethyl)phenyl]-amine |
Molecular Structure: | |
Formula: | C13H21N3 |
Molecular Weight: | 219.33 |
Synonyms: | N,N-Dimethyl-4-(1-piperazinylmethyl)aniline; |
Density: | 1.045 g/cm3 |
Boiling Point: | 341 °C at 760 mmHg |
Flash Point: | 171.973 °C |
Hazard Symbols: | Xi |
PSA: | 18.51000 |
LogP: | 1.42450 |
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The Benzenamine, N,N-dimethyl-4-(1-piperazinylmethyl)-, with the CAS registry number 89292-79-5, is also known as N,N-Dimethyl-4-(1-piperazinylmethyl)aniline.This chemical's molecular formula is C13H21N3 and molecular weight is 219.17. What's more, its IUPAC name is called N,N-Dimethyl-4-(piperazin-1-ylmethyl)aniline. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenamine, N,N-dimethyl-4-(1-piperazinylmethyl)- are: (1)ACD/LogP: 0.646; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.44; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 3 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.51 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 68.842 cm3; (15)Molar Volume: 209.842 cm3; (16)Polarizability: 27.291×10-24cm3; (17)Surface Tension: 41.85 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 171.973 °C; (20)Enthalpy of Vaporization: 58.461 kJ/mol; (21)Boiling Point: 341 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ccc(N(C)C)c1)CN2CCNCC2
(2) InChI: InChI=1S/C13H21N3/c1-15(2)13-5-3-12(4-6-13)11-16-9-7-14-8-10-16/h3-6,14H,7-11H2,1-2H3
(3) InChIKey: WBSHKPALUOHZAK-UHFFFAOYSA-N