Hexamethylenetetramine
Product Name
Hexamethylenetetramine
CAS100-97-0
MFC6H12N4
MW140.19
InChIInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChIKeyVKYKSIONXSXAKP-UHFFFAOYSA-N
SmilesN12CN3CN(CN(C3)C1)C2
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Mass
MS-NW-1244
1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane
C6H12N4 (Mass of molecular ion: 140)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 7.4
28.0 1.9
30.0 1.2
41.0 3.7
42.0 100.0
43.0 3.7
44.0 1.5
69.0 3.1
71.0 3.9
83.0 2.9
84.0 1.3
85.0 5.5
96.0 1.0
111.0 2.0
112.0 7.7
140.0 38.6
141.0 3.2
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1H NMR |
300 MHz |
C6 H12 N4
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0.049 g : 0.5 ml CDCl3
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1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane
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Parameter ppm Hz
D(A) 4.719
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Hz ppm Int.
1415.70 4.719 1000
Hexamethylenetetramine(100-97-0)IR2 Atlas of Related Products