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2-Aminoethyl methacrylate hydrochloride |
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ID: API-45705 CAS:2420-94-2 Supplier:APIchem SMILES:Cl.O(CCN)C(=O)C(=C)C ChemMol.com FORMULA: C6H12ClNO2
MASS: 165.6180
EXACT MASS: 165.0556563
INTERATOMIC DISTANCES
Cl 1 O 2 O 3 N 4 C 5 C 6
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Cl 1 0.0000
O 2 4.0311 0.0000
O 3 2.8489 1.7320 0.0000
N 4 4.0807 2.6458 3.6055 0.0000
C 5 3.5191 1.0000 2.0000 1.7321 0.0000
C 6 4.1854 1.7320 2.9999 1.0001 1.0000 0.0000
C 7 4.5806 1.7321 1.7321 4.3590 2.6458 3.4641
C 8 3.7571 1.0000 1.0000 3.4641 1.7320 2.6457
C 9 4.6742 2.6458 2.0000 5.1962 3.4641 4.3589
C 10 5.4756 2.0000 2.6458 4.5826 3.0000 3.6055
H 11 3.1201 1.5967 2.1942 1.4157 0.6200 1.0813
H 12 3.0252 1.0813 1.4331 2.1829 0.6200 1.5967
H 13 4.5520 1.4156 2.9561 1.5968 1.0813 0.6200
H 14 4.7628 2.1829 3.5889 1.0813 1.5968 0.6201
H 15 4.6324 3.1408 4.2100 0.6200 2.2901 1.4158
H 16 3.5632 2.8292 3.4849 0.6200 1.8397 1.4158
H 17 4.0686 2.5121 1.4956 4.9156 3.1995 4.1517
H 18 4.8363 3.2380 2.3716 5.7415 4.0130 4.9339
H 19 5.2832 2.9083 2.5558 5.5323 3.8121 4.6402
H 20 5.9886 2.6200 3.1408 5.1928 3.6200 4.2100
H 21 5.5740 1.7732 2.8292 4.2029 2.7430 3.2069
H 22 1.0000 4.0311 2.5266 4.6742 3.7571 4.5806
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 1.0001 0.0000
C 9 1.0000 1.7321 0.0000
C 10 1.0000 1.7321 1.7320 0.0000
H 11 3.1512 2.1828 3.8917 3.5889 0.0000
H 12 2.4060 1.4156 3.1022 2.9562 0.7970 0.0000
H 13 3.1022 2.4059 4.0507 3.1102 1.4516 1.6889
H 14 3.8918 3.1512 4.8282 3.8982 1.6890 2.2064
H 15 4.8708 4.0130 5.7415 5.0105 2.0285 2.7806
H 16 4.4727 3.5191 5.2331 4.8213 1.3415 2.1355
H 17 1.1766 1.5201 0.6200 2.1114 3.5531 2.7563
H 18 1.6199 2.2901 0.6200 2.2900 4.4026 3.6063
H 19 1.1766 2.1115 0.6200 1.5200 4.2935 3.5240
H 20 1.4158 2.2901 1.8397 0.6200 4.2080 3.5651
H 21 1.4158 1.8397 2.2901 0.6201 3.3572 2.8259
H 22 4.1855 3.5191 4.0807 5.1496 3.5020 3.1760
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 0.7971 0.0000
H 15 1.9203 1.2046 0.0000
H 16 2.0355 1.6621 1.0739 0.0000
H 17 3.9245 4.6702 5.4888 4.8869 0.0000
H 18 4.6496 5.4201 6.3006 5.7415 0.8768 0.0000
H 19 4.2642 5.0577 6.0474 5.6264 1.2399 0.8768
H 20 3.6980 4.4781 5.6083 5.4400 2.3470 2.2901
H 21 2.6629 3.4289 4.5826 4.5048 2.5889 2.8736
H 22 4.8360 5.1909 5.2659 4.2300 3.4608 4.1376
H 19 H 20 H 21 H 22
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H 19 0.0000
H 20 1.4245 0.0000
H 21 2.1343 1.0739 0.0000
H 22 4.7006 5.5969 5.3553 0.0000
ATOMIC CHARGES
Cl 1 -0.1453996612
O 2 -0.4601187605
O 3 -0.2453484486
N 4 -0.3270322092
C 5 0.1049981059
C 6 0.0277009022
C 7 0.0264473421
C 8 0.3343527769
C 9 -0.0335035255
C 10 -0.0889937444
H 11 0.0710218563
H 12 0.0710218563
H 13 0.0455186740
H 14 0.0455186740
H 15 0.1183210045
H 16 0.1183210045
H 17 0.0279546319
H 18 0.0279546319
H 19 0.0279546319
H 20 0.0539552978
H 21 0.0539552978
H 22 0.1453996612
BOND ANGLES
8 2 5 C2 O3 C3 119.999
2 5 6 O3 C3 C3 119.999
2 5 11 O3 C3 HC 159.996
2 5 12 O3 C3 HC 80.006
5 2 8 C3 O3 C2 119.999
15 4 6 HC N3 C3 120.000
4 6 13 N3 C3 HC 159.993
4 6 14 N3 C3 HC 79.996
16 4 6 HC N3 C3 119.998
4 6 13 N3 C3 HC 159.993
4 6 14 N3 C3 HC 79.996
6 4 15 C3 N3 HC 120.000
16 4 15 HC N3 HC 120.002
6 4 16 C3 N3 HC 119.998
15 4 16 HC N3 HC 120.002
11 5 6 HC C3 C3 80.006
5 6 13 C3 C3 HC 80.006
5 6 14 C3 C3 HC 160.003
12 5 6 HC C3 C3 159.996
5 6 13 C3 C3 HC 80.006
5 6 14 C3 C3 HC 160.003
6 5 11 C3 C3 HC 80.006
12 5 11 HC C3 HC 79.990
6 5 12 C3 C3 HC 159.996
11 5 12 HC C3 HC 79.990
14 6 13 HC C3 HC 79.997
13 6 14 HC C3 HC 79.997
9 7 8 C3 C2 C2 120.001
10 7 8 C2 C2 C2 119.998
8 7 9 C2 C2 C3 120.001
7 9 17 C2 C3 HC 89.999
7 9 18 C2 C3 HC 179.974
7 9 19 C2 C3 HC 90.001
10 7 9 C2 C2 C3 120.001
7 9 17 C2 C3 HC 89.999
7 9 18 C2 C3 HC 179.974
7 9 19 C2 C3 HC 90.001
8 7 10 C2 C2 C2 119.998
7 10 20 C2 C2 HC 120.002
7 10 21 C2 C2 HC 119.997
9 7 10 C3 C2 C2 120.001
7 10 20 C2 C2 HC 120.002
7 10 21 C2 C2 HC 119.997
18 9 17 HC C3 HC 90.000
19 9 17 HC C3 HC 179.974
17 9 18 HC C3 HC 90.000
19 9 18 HC C3 HC 90.000
17 9 19 HC C3 HC 179.974
18 9 19 HC C3 HC 90.000
21 10 20 HC C2 HC 120.001
20 10 21 HC C2 HC 120.001
TORSION ANGLES
8 2 5 6 179.974
8 2 5 11 0.026
8 2 5 12 0.026
5 2 8 3 0.026
5 2 8 7 179.974
15 4 6 5 179.974
15 4 6 13 0.026
15 4 6 14 0.026
16 4 6 5 0.026
16 4 6 13 179.974
16 4 6 14 179.974
2 5 6 4 179.974
2 5 6 13 0.026
2 5 6 14 0.026
11 5 6 4 0.026
11 5 6 13 179.974
11 5 6 14 179.974
12 5 6 4 0.026
12 5 6 13 179.974
12 5 6 14 179.974
9 7 8 2 179.974
9 7 8 3 0.026
10 7 8 2 0.026
10 7 8 3 179.974
8 7 9 17 0.026
8 7 9 18 0.026
8 7 9 19 179.974
10 7 9 17 179.974
10 7 9 18 179.974
10 7 9 19 0.026
8 7 10 20 179.974
8 7 10 21 0.026
9 7 10 20 0.026
9 7 10 21 179.974
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