N-(3-AMINOPROPYL)-N-METHYLANILINE(53485-07-7) 1H NMR
Product NameN-(3-AMINOPROPYL)-N-METHYLANILINE
CAS53485-07-7
Molecular FormulaC10H16N2
Molecular Weight164.25
InChIInChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChIKey WGHBKYWUOOANEX-UHFFFAOYSA-N
SmilesC(N(C)C1=CC=CC=C1)CCN
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MassMS-IW-5791 N-methyl-n-phenyltrimethylenediamine C10H16N2 (Mass of molecular ion: 164)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.0 28.0 2.3 30.0 8.1 39.0 2.1 41.0 1.1 42.0 6.5 43.0 1.0 44.0 2.6 50.0 1.0 51.0 4.8 56.0 5.5 57.0 6.3 65.0 1.9 70.0 1.3 77.0 15.6 78.0 2.7 79.0 3.6 91.0 5.4 92.0 1.9 93.0 1.8 103.0 2.1 104.0 8.3 105.0 7.9 106.0 9.0 107.0 17.9 108.0 6.1 117.0 1.4 118.0 3.6 119.0 3.0 120.0 100.0 121.0 10.7 132.0 6.3 133.0 2.0 134.0 3.6 146.0 6.6 147.0 14.1 148.0 1.7 164.0 22.8 165.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 N2 0.05 ml : 0.5 ml CDCl3 N-methyl-N-phenyltrimethylenediamine 
Assign. Shift(ppm)
A 7.205 B 6.69 C 6.67 D 3.342 E 2.887 F 2.701 G 1.681 J 1.25
Hz ppm Int.2890.14 7.232 30 2887.82 7.226 167 2885.62 7.221 66 2883.06 7.214 43 2880.49 7.208 220 2878.91 7.204 223 2876.46 7.198 41 2873.78 7.191 76 2871.70 7.186 187 2869.14 7.180 32 2681.03 6.709 194 2680.18 6.707 242 2672.12 6.687 267 2671.26 6.684 261 2664.92 6.669 112 2663.94 6.666 156 2657.71 6.651 54 2656.74 6.648 76 1343.02 3.361 180 1335.82 3.343 233 1328.49 3.325 187 1153.81 2.888 1000 1147.71 2.872 31 1086.67 2.720 203 1079.83 2.702 320 1072.75 2.685 214 686.04 1.717 62 678.83 1.699 158 671.75 1.681 195 664.55 1.663 150 657.47 1.646 56 501.34 1.255 74
in CDCl3
liquid film
