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4-Methyl-1-piperazineethanamine |
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ID: API-42909 CAS:934-98-5 Supplier:APIchem SMILES:N1(CCN(CC1)C)CCN ChemMol.com FORMULA: C7H17N3
MASS: 143.2300
EXACT MASS: 143.1422476
INTERATOMIC DISTANCES
N 1 N 2 N 3 C 4 C 5 C 6
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N 1 0.0000
N 2 2.0000 0.0000
N 3 2.6458 4.5826 0.0000
C 4 1.0001 1.7321 3.0000 0.0000
C 5 1.0000 1.7320 3.4641 1.7321 0.0000
C 6 1.7321 1.0001 4.0000 1.0000 2.0000 0.0000
C 7 1.7320 1.0000 4.3589 2.0000 1.0000 1.7321
C 8 1.0000 3.0000 1.7321 1.7321 1.7320 2.6458
C 9 3.0000 1.0000 5.5678 2.6458 2.6457 1.7321
C 10 1.7321 3.6056 1.0000 2.0000 2.6458 3.0000
H 11 1.0812 2.3451 3.1022 2.0295 0.6200 2.5068
H 12 1.5968 2.0295 3.8918 2.3452 0.6200 2.5069
H 13 1.5968 2.0295 3.1671 0.6199 2.3451 1.0812
H 14 1.0813 2.3451 2.4267 0.6200 2.0295 1.5967
H 15 2.3451 1.0813 4.5875 1.5967 2.5068 0.6200
H 16 2.0295 1.5968 3.9399 1.0812 2.5068 0.6199
H 17 2.0295 1.5968 4.5429 2.5069 1.0812 2.3452
H 18 2.3451 1.0812 4.9779 2.5068 1.5967 2.0295
H 19 1.5967 3.5889 1.4156 2.3451 2.1829 3.2657
H 20 1.0812 2.9560 2.1829 2.0295 1.4155 2.8113
H 21 3.0634 1.1766 5.6972 2.9083 2.5121 2.1115
H 22 3.6200 1.6200 6.1810 3.2380 3.2380 2.2901
H 23 3.0634 1.1766 5.5055 2.5121 2.9083 1.5201
H 24 1.4156 3.1102 1.5967 1.4332 2.4059 2.4267
H 25 2.1829 3.8982 1.0812 2.1943 3.1512 3.1671
H 26 3.1408 5.0104 0.6200 3.3533 4.0130 4.3433
H 27 2.8292 4.8212 0.6201 3.3533 3.5191 4.3433
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 2.6457 0.0000
C 9 1.7320 4.0000 0.0000
C 10 3.4641 1.0001 4.5826 0.0000
H 11 1.5967 1.4155 3.2657 2.4059 0.0000
H 12 1.0812 2.1829 2.8113 3.1513 0.7971 0.0000
H 13 2.5068 2.1829 2.8113 2.1943 2.6462 2.9532
H 14 2.5068 1.4156 3.2657 1.4332 2.1561 2.6463
H 15 2.0295 3.2657 1.4156 3.5889 3.0556 2.9499
H 16 2.3451 2.8113 2.1829 2.9560 2.9498 3.0556
H 17 0.6200 2.8113 2.1829 3.7220 1.5278 0.7846
H 18 0.6200 3.2657 1.4155 4.0761 2.1652 1.5278
H 19 3.1512 0.6200 4.5875 1.0813 1.7320 2.5292
H 20 2.4059 0.6199 3.9399 1.5968 0.9350 1.7321
H 21 1.5200 4.0478 0.6200 4.7390 3.1164 2.5410
H 22 2.2901 4.6200 0.6200 5.1927 3.8563 3.3547
H 23 2.1114 4.0478 0.6200 4.5067 3.5193 3.1810
H 24 3.1022 1.0813 4.0630 0.6200 2.3121 2.9753
H 25 3.8917 1.5968 4.8385 0.6199 2.9752 3.6918
H 26 4.8708 2.2901 5.9770 1.4158 3.6870 4.4691
H 27 4.4726 1.8397 5.8193 1.4158 3.0690 3.8654
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 1.5278 2.1652 0.0000
H 16 0.7846 1.5278 0.7971 0.0000
H 17 3.0556 2.9499 2.6463 2.9532 0.0000
H 18 2.9498 3.0556 2.1561 2.6462 0.7971 0.0000
H 19 2.7656 1.9785 3.8856 3.4207 3.2325 3.7661
H 20 2.5702 1.8727 3.4207 3.0944 2.4433 3.0114
H 21 3.1810 3.5194 1.9301 2.6421 1.8217 1.0254
H 22 3.3547 3.8564 1.8777 2.6726 2.6726 1.8777
H 23 2.5410 3.1165 1.0254 1.8217 2.6421 1.9300
H 24 1.5763 0.8348 3.0000 2.3438 3.4440 3.6944
H 25 2.2154 1.5763 3.7118 3.0000 4.2097 4.4882
H 26 3.4185 2.7467 4.9034 4.2029 5.0943 5.4857
H 27 3.6052 2.8284 4.9496 4.3562 4.5738 5.0909
H 19 H 20 H 21 H 22 H 23 H 24
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H 19 0.0000
H 20 0.7971 0.0000
H 21 4.6007 3.8923 0.0000
H 22 5.2069 4.5534 0.8768 0.0000
H 23 4.6575 4.0822 1.2400 0.8768 0.0000
H 24 1.4515 1.6888 4.2696 4.6637 3.9441 0.0000
H 25 1.6888 2.2063 5.0623 5.4322 4.6866 0.7971
H 26 2.0285 2.7806 6.1521 6.5813 5.8625 1.9203
H 27 1.3414 2.1355 5.8870 6.4384 5.8173 2.0354
H 25 H 26 H 27
---------------------------------
H 25 0.0000
H 26 1.2046 0.0000
H 27 1.6620 1.0739 0.0000
ATOMIC CHARGES
N 1 -0.2987135535
N 2 -0.3029174284
N 3 -0.3287703372
C 4 0.0117466777
C 5 0.0117466777
C 6 0.0114229295
C 7 0.0114229295
C 8 0.0113099183
C 9 -0.0126693714
C 10 0.0058811145
H 11 0.0439041803
H 12 0.0439041803
H 13 0.0439041803
H 14 0.0439041803
H 15 0.0438937012
H 16 0.0438937012
H 17 0.0438937012
H 18 0.0438937012
H 19 0.0438899252
H 20 0.0438899252
H 21 0.0390627845
H 22 0.0390627845
H 23 0.0390627845
H 24 0.0434320102
H 25 0.0434320102
H 26 0.1182583464
H 27 0.1182583464
BOND ANGLES
5 1 4 C3 N3 C3 120.001
1 4 6 N3 C3 C3 119.998
1 4 13 N3 C3 HC 160.007
1 4 14 N3 C3 HC 79.998
8 1 4 C3 N3 C3 119.998
1 4 6 N3 C3 C3 119.998
1 4 13 N3 C3 HC 160.007
1 4 14 N3 C3 HC 79.998
4 1 5 C3 N3 C3 120.001
1 5 7 N3 C3 C3 120.001
1 5 11 N3 C3 HC 79.995
1 5 12 N3 C3 HC 160.002
8 1 5 C3 N3 C3 120.001
1 5 7 N3 C3 C3 120.001
1 5 11 N3 C3 HC 79.995
1 5 12 N3 C3 HC 160.002
4 1 8 C3 N3 C3 119.998
1 8 10 N3 C3 C3 119.998
1 8 19 N3 C3 HC 160.004
1 8 20 N3 C3 HC 79.995
5 1 8 C3 N3 C3 120.001
1 8 10 N3 C3 C3 119.998
1 8 19 N3 C3 HC 160.004
1 8 20 N3 C3 HC 79.995
7 2 6 C3 N3 C3 120.001
2 6 15 N3 C3 HC 79.998
2 6 16 N3 C3 HC 160.007
9 2 6 C3 N3 C3 119.998
2 6 15 N3 C3 HC 79.998
2 6 16 N3 C3 HC 160.007
6 2 7 C3 N3 C3 120.001
2 7 17 N3 C3 HC 160.002
2 7 18 N3 C3 HC 79.995
9 2 7 C3 N3 C3 120.001
2 7 17 N3 C3 HC 160.002
2 7 18 N3 C3 HC 79.995
6 2 9 C3 N3 C3 119.998
2 9 21 N3 C3 HC 90.000
2 9 22 N3 C3 HC 179.974
2 9 23 N3 C3 HC 90.000
7 2 9 C3 N3 C3 120.001
2 9 21 N3 C3 HC 90.000
2 9 22 N3 C3 HC 179.974
2 9 23 N3 C3 HC 90.000
26 3 10 HC N3 C3 120.002
3 10 24 N3 C3 HC 160.004
3 10 25 N3 C3 HC 79.995
27 3 10 HC N3 C3 119.997
3 10 24 N3 C3 HC 160.004
3 10 25 N3 C3 HC 79.995
10 3 26 C3 N3 HC 120.002
27 3 26 HC N3 HC 120.001
10 3 27 C3 N3 HC 119.997
26 3 27 HC N3 HC 120.001
13 4 6 HC C3 C3 79.995
4 6 15 C3 C3 HC 160.004
4 6 16 C3 C3 HC 79.995
14 4 6 HC C3 C3 160.004
4 6 15 C3 C3 HC 160.004
4 6 16 C3 C3 HC 79.995
6 4 13 C3 C3 HC 79.995
14 4 13 HC C3 HC 80.009
6 4 14 C3 C3 HC 160.004
13 4 14 HC C3 HC 80.009
11 5 7 HC C3 C3 160.004
5 7 17 C3 C3 HC 79.997
5 7 18 C3 C3 HC 160.004
12 5 7 HC C3 C3 79.997
5 7 17 C3 C3 HC 79.997
5 7 18 C3 C3 HC 160.004
7 5 11 C3 C3 HC 160.004
12 5 11 HC C3 HC 80.007
7 5 12 C3 C3 HC 79.997
11 5 12 HC C3 HC 80.007
16 6 15 HC C3 HC 80.009
15 6 16 HC C3 HC 80.009
18 7 17 HC C3 HC 80.007
17 7 18 HC C3 HC 80.007
19 8 10 HC C3 C3 79.998
8 10 24 C3 C3 HC 79.998
8 10 25 C3 C3 HC 160.007
20 8 10 HC C3 C3 160.007
8 10 24 C3 C3 HC 79.998
8 10 25 C3 C3 HC 160.007
10 8 19 C3 C3 HC 79.998
20 8 19 HC C3 HC 80.009
10 8 20 C3 C3 HC 160.007
19 8 20 HC C3 HC 80.009
22 9 21 HC C3 HC 90.000
23 9 21 HC C3 HC 179.974
21 9 22 HC C3 HC 90.000
23 9 22 HC C3 HC 90.000
21 9 23 HC C3 HC 179.974
22 9 23 HC C3 HC 90.000
25 10 24 HC C3 HC 80.009
24 10 25 HC C3 HC 80.009
TORSION ANGLES
5 1 4 6 0.026
5 1 4 13 179.974
5 1 4 14 179.974
8 1 4 6 179.974
8 1 4 13 0.026
8 1 4 14 0.026
4 1 5 7 0.026
4 1 5 11 179.974
4 1 5 12 179.974
8 1 5 7 179.974
8 1 5 11 0.026
8 1 5 12 0.026
4 1 8 10 0.026
4 1 8 19 179.974
4 1 8 20 179.974
5 1 8 10 179.974
5 1 8 19 0.026
5 1 8 20 0.026
7 2 6 4 0.026
7 2 6 15 179.974
7 2 6 16 179.974
9 2 6 4 179.974
9 2 6 15 0.026
9 2 6 16 0.026
6 2 7 5 0.026
6 2 7 17 179.974
6 2 7 18 179.974
9 2 7 5 179.974
9 2 7 17 0.026
9 2 7 18 0.026
6 2 9 21 179.974
6 2 9 22 180.000
6 2 9 23 0.026
7 2 9 21 0.026
7 2 9 22 180.000
7 2 9 23 179.974
26 3 10 8 179.974
26 3 10 24 0.026
26 3 10 25 0.026
27 3 10 8 0.026
27 3 10 24 179.974
27 3 10 25 179.974
1 4 6 2 0.026
1 4 6 15 179.974
1 4 6 16 179.974
13 4 6 2 179.974
13 4 6 15 0.026
13 4 6 16 0.026
14 4 6 2 179.974
14 4 6 15 0.026
14 4 6 16 0.026
1 5 7 2 0.026
1 5 7 17 179.974
1 5 7 18 179.974
11 5 7 2 179.974
11 5 7 17 0.026
11 5 7 18 0.026
12 5 7 2 179.974
12 5 7 17 0.026
12 5 7 18 0.026
1 8 10 3 179.974
1 8 10 24 0.026
1 8 10 25 0.026
19 8 10 3 0.026
19 8 10 24 179.974
19 8 10 25 179.974
20 8 10 3 0.026
20 8 10 24 179.974
20 8 10 25 179.974
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