SPERMINE TETRAHYDROCHLORIDE(306-67-2) IR1
Product NameSPERMINE TETRAHYDROCHLORIDE
CAS306-67-2
Molecular FormulaC10H30Cl4N4
Molecular Weight348.18
InChIInChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H
InChIKey XLDKUDAXZWHPFH-UHFFFAOYSA-N
SmilesC(CNCCCN)CCNCCCN.Cl.Cl.Cl.Cl
-
MassMS-IW-3653 N,N'-bis(3-aminopropyl)tetramethylenediamine tetrahydrochloride C10H26N4 4HCl (Mass of molecular ion: 202)
Source Temperature: 160 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 1.0 18.0 6.4 27.0 2.1 28.0 12.0 29.0 5.3 30.0 49.2 31.0 1.9 35.0 14.5 36.0 83.9 37.0 5.0 38.0 38.7 39.0 2.2 41.0 13.0 42.0 17.7 43.0 14.0 44.0 86.5 45.0 8.7 46.0 2.6 53.0 1.0 54.0 2.3 55.0 11.8 56.0 23.7 57.0 88.4 58.0 30.4 59.0 3.5 60.0 4.4 68.0 6.0 69.0 2.7 70.0 50.9 71.0 9.6 72.0 32.7 73.0 4.4 74.0 12.9 75.0 2.9 82.0 4.9 83.0 3.7 84.0 100.0 85.0 13.2 86.0 12.3 87.0 26.2 88.0 1.6 89.0 14.4 96.0 2.5 97.0 1.2 98.0 27.0 99.0 11.7 100.0 4.2 101.0 3.7 102.0 11.0 103.0 3.5 110.0 3.4 111.0 1.5 112.0 6.9 113.0 20.1 114.0 2.1 115.0 8.4 116.0 4.9 125.0 1.3 126.0 1.0 127.0 36.1 128.0 3.6 129.0 11.1 130.0 13.3 131.0 1.1 145.0 1.1 146.0 1.5 158.0 25.8 159.0 9.3 172.0 5.9 202.0 7.5 203.0 1.2
400 MHz in D2O
-
1H NMR 399.65 MHz C10 H26 N4 0.045 g : 0.5 ml D2O N,N'-bis(3-aminopropyl)tetramethylenediamine tetrahydrochloride 
Assign. Shift(ppm)
A 3.18 B 3.12 C 2.108 D 1.800
Hz ppm Int.1277.59 3.197 563 1269.65 3.177 625 1261.60 3.157 750 1254.27 3.139 1000 1246.46 3.119 982 1238.65 3.100 696 858.03 2.147 175 852.29 2.133 214 850.10 2.128 342 848.39 2.123 242 845.21 2.115 232 842.29 2.108 585 839.23 2.100 234 836.55 2.094 227 834.23 2.088 315 832.64 2.084 228 826.54 2.069 166 727.42 1.821 246 723.75 1.811 336 719.97 1.802 557 716.19 1.793 349 712.65 1.784 259
in D2O
KBr disc
nujol mull
