N-METHYL-3-CHLOROPROPYLAMINE HYDROCHLORIDE(97145-88-5) IR1
Product NameN-METHYL-3-CHLOROPROPYLAMINE HYDROCHLORIDE
CAS97145-88-5
Molecular FormulaC4H11Cl2N
Molecular Weight144.04
InChIInChI=1S/C4H10ClN.ClH/c1-6-4-2-3-5;/h6H,2-4H2,1H3;1H
InChIKey SHBWHBGVZIDIQY-UHFFFAOYSA-N
SmilesC(CCl)CNC.Cl
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MassMS-IW-4085 3-chloro-n-methylpropylamine hydrochloride C4H10ClN HCl (Mass of molecular ion: 107)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 3.2 18.0 9.5 27.0 4.2 28.0 9.6 29.0 1.7 30.0 11.4 35.0 4.1 36.0 61.4 37.0 1.4 38.0 19.9 39.0 3.6 41.0 6.8 42.0 9.3 43.0 5.1 44.0 100.0 45.0 7.6 49.0 1.7 56.0 3.4 57.0 6.2 70.0 2.9 106.0 3.7 107.0 24.7 108.0 3.5 109.0 8.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H10 Cl N 0.030 g : 0.5 ml CDCl3 3-chloro-N-methylpropylamine hydrochloride 
Assign. Shift(ppm)
A 9.57 B 3.736 C 3.162 D 2.735 E 2.385
Hz ppm Int.1499.48 3.752 212 1496.28 3.744 30 1493.38 3.737 263 1489.72 3.728 32 1487.12 3.722 221 1271.36 3.182 124 1264.04 3.163 162 1256.41 3.144 137 1093.14 2.736 1000 966.49 2.419 49 960.24 2.403 102 959.01 2.400 70 957.03 2.395 39 956.12 2.393 38 954.13 2.388 102 952.45 2.384 97 951.69 2.382 109 949.86 2.377 38 948.94 2.375 37 947.72 2.372 45 945.74 2.367 88 939.18 2.351 44
in CDCl3
KBr disc
nujol mull
