N-(3-AMINOPROPYL)-N-METHYLANILINE(53485-07-7) MS

Product NameN-(3-AMINOPROPYL)-N-METHYLANILINE

CAS 53485-07-7

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-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

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