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DI-TERT-BUTYL IMINODICARBOXYLATE
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ID: BP-10429
CAS:51779-32-9 Supplier:BroadPharm SMILES:N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C FORMULA: C10H19NO4
MASS: 217.2622
EXACT MASS: 217.1314081
INTERATOMIC DISTANCES
N 1 C 2 C 3 O 4 O 5 O 6
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N 1 0.0000
C 2 1.1409 0.0000
C 3 1.1767 2.0013 0.0000
O 4 1.9679 1.1392 3.0425 0.0000
O 5 2.0074 2.2958 1.1535 3.4350 0.0000
O 6 1.9639 1.1353 2.2743 1.9836 1.9548 0.0000
O 7 2.0127 3.0533 1.1620 3.9805 2.0279 3.4361
C 8 3.0058 1.9659 3.9672 1.1373 4.1122 2.2899
C 9 3.0317 3.4184 1.9623 4.5576 1.1225 2.9842
C 10 3.5244 2.7015 4.6267 1.5863 4.9811 3.3055
C 11 4.0683 2.9777 4.9578 2.2397 4.9464 3.0117
C 12 2.8569 1.7184 3.5434 1.6189 3.3871 1.4353
C 13 4.0797 4.5084 2.9561 5.6476 2.2126 4.0283
C 14 2.8757 3.6018 1.7000 4.7002 1.5831 3.5089
C 15 3.5339 3.5772 2.6810 4.6742 1.5544 2.8147
O 7 C 8 C 9 C 10 C 11 C 12
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O 7 0.0000
C 8 4.9969 0.0000
C 9 2.3201 5.2092 0.0000
C 10 5.5280 1.1244 6.1005 0.0000
C 11 6.0309 1.1025 5.9959 1.5715 0.0000
C 12 4.6751 1.1372 4.4147 2.2616 1.5895 0.0000
C 13 3.0144 6.2808 1.0901 7.1875 7.0326 5.4444
C 14 1.4689 5.5368 1.1026 6.2858 6.4483 4.9237
C 15 3.3105 5.1026 1.0901 6.1095 5.7241 4.1441
C 13 C 14 C 15
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C 13 0.0000
C 14 1.5511 0.0000
C 15 1.5416 2.1926 0.0000
ATOMIC CHARGES
N 1 -0.0699470203
C 2 0.4303038744
C 3 0.4303038744
O 4 -0.4404488748
O 5 -0.4404488748
O 6 -0.2239982452
O 7 -0.2239982452
C 8 0.1378897599
C 9 0.1378897599
C 10 0.0437423319
C 11 0.0437423319
C 12 0.0437423319
C 13 0.0437423319
C 14 0.0437423319
C 15 0.0437423319
BOND ANGLES
TORSION ANGLES
4 2 1 3 179.974
6 2 1 3 0.026
5 3 1 2 0.026
7 3 1 2 179.974
8 4 2 1 179.974
8 4 2 6 0.026
9 5 3 1 179.974
9 5 3 7 0.026
10 8 4 2 179.974
11 8 4 2 179.974
12 8 4 2 0.026
13 9 5 3 179.974
14 9 5 3 0.026
15 9 5 3 179.974
CHIRAL ATOMS
C 8 is chiral: counterclockwise
C 9 is chiral: counterclockwise
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