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(R)-4-N-BOC-2-METHYL-PIPERAZINE
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ID: BP-10482
CAS:163765-44-4 Supplier:BroadPharm SMILES:C(=O)(N1C[C@H](NCC1)C)OC(C)(C)C FORMULA: C10H20N2O2
MASS: 200.2780
EXACT MASS: 200.1524779
INTERATOMIC DISTANCES
C 1 N 2 O 3 C 4 O 5 N 6
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C 1 0.0000
N 2 1.4333 0.0000
O 3 1.4580 2.5041 0.0000
C 4 2.5220 1.4685 2.9125 0.0000
O 5 1.4238 2.4699 2.5001 3.8194 0.0000
N 6 4.3583 2.9250 5.2418 2.5149 5.2116 0.0000
C 7 2.4751 2.8685 1.4063 2.5120 3.7756 5.0266
C 8 3.8464 2.5365 4.3625 1.4500 5.0064 1.4559
C 9 2.5158 1.4577 3.8465 2.5125 2.8875 2.5086
C 10 3.8423 2.5303 5.0343 2.9009 4.3375 1.4450
C 11 3.7998 4.3177 2.4626 3.8299 4.9627 6.3222
C 12 3.4225 3.2378 2.7142 2.2199 4.8308 4.5520
C 13 2.1127 1.7981 1.9438 1.1572 3.5352 3.6703
C 14 4.9795 3.8031 5.1935 2.4575 6.2477 2.4753
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 3.8461 0.0000
C 9 4.3262 2.9009 0.0000
C 10 5.2152 2.5125 1.4500 0.0000
C 11 1.4492 5.0276 5.7754 6.6305 0.0000
C 12 1.3834 3.1684 4.5937 5.1199 1.9606 0.0000
C 13 1.3570 2.5397 3.1980 3.9164 2.7197 1.4500
C 14 4.3375 1.3938 4.2947 3.7879 5.2226 3.2624
C 13 C 14
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C 13 0.0000
C 14 3.2512 0.0000
ATOMIC CHARGES
C 1 0.4047254887
N 2 -0.2431167867
O 3 -0.4417873370
C 4 0.1140489499
O 5 -0.2261958694
N 6 -0.2159176949
C 7 0.1378299113
C 8 0.0927692750
C 9 0.1155350146
C 10 0.1102633377
C 11 0.0437415187
C 12 0.0437415187
C 13 0.0437415187
C 14 0.0206211547
BOND ANGLES
14 8 4 C3 C3 C3 119.554
8 4 2 C3 C3 Nam 120.713
6 8 4 N3 C3 C3 119.867
8 4 2 C3 C3 Nam 120.713
4 8 14 C3 C3 C3 119.554
6 8 14 N3 C3 C3 120.579
4 8 6 C3 C3 N3 119.867
8 6 10 C3 N3 C3 120.019
14 8 6 C3 C3 N3 120.579
8 6 10 C3 N3 C3 120.019
TORSION ANGLES
4 2 1 3 0.026
4 2 1 5 179.974
9 2 1 3 179.974
9 2 1 5 0.026
7 3 1 2 0.026
7 3 1 5 179.974
8 4 2 1 179.974
8 4 2 9 0.026
8 6 10 9 0.026
11 7 3 1 179.974
12 7 3 1 0.026
13 7 3 1 0.026
14 8 4 2 179.974
6 8 4 2 0.026
10 9 2 1 179.974
10 9 2 4 0.026
6 10 9 2 0.026
4 8 6 10 0.026
14 8 6 10 179.974
CHIRAL ATOMS
N 2 is chiral: counterclockwise
C 7 is chiral: counterclockwise
C 8 is chiral: counterclockwise
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