2-Dimethylaminoethyl chloride hydrochloride(4584-46-7) ¹³C NMR

Product Name2-Dimethylaminoethyl chloride hydrochloride

CAS 4584-46-7

Molecular FormulaC4H11Cl2N

Molecular Weight144.04

InChIInChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H

InChIKey LQLJZSJKRYTKTP-UHFFFAOYSA-N

SmilesC(CCl)N(C)C.Cl

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Mass

MS-NW-5406          
2-chloro-N,N-dimethylethylamine hydrochloride
C4H10ClN HCl        (Mass of molecular ion:    107)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       7.5
      18.0       1.7
      26.0       1.5
      27.0       6.7
      28.0       4.7
      29.0       3.3
      30.0      10.4
      35.0       3.6
      36.0      21.4
      37.0       1.1
      38.0       6.9
      41.0       2.2
      42.0      18.8
      43.0       5.4
      44.0       7.6
      56.0       4.5
      57.0       3.8
      58.0     100.0
      59.0       3.8
      63.0       2.1
      70.0       2.7
      71.0       2.5
      72.0       7.5
     106.0       1.2
     107.0       4.4
     109.0       1.4

400 MHz in D2O

¹H NMR	399.65 MHz
C₄ H₁₀ Cl N	0.047 g : 0.5 ml D₂O
2-chloro-N,N-dimethylethylamine hydrochloride

    Assign.     Shift(ppm)

      A             4.79
      B             3.971
      C             3.595
      D             2.973

     Hz     ppm     Int.

   1913.45   4.788     49
   1592.77   3.986     91
   1588.13   3.974     71
   1587.16   3.972    108
   1585.82   3.969     58
   1581.42   3.958    101
   1442.38   3.610    125
   1438.72   3.600     52
   1438.11   3.599     68
   1436.65   3.595    124
   1435.67   3.593     70
   1431.15   3.582    104
   1188.48   2.974   1000

in D2O

KBr disc

nujol mull

4880 A,200 M,powder

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2-Dimethylaminoethyl chloride hydrochloride(4584-46-7) ¹³C NMR