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[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methanamine |
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ID: API-28907 CAS:103883-30-3 Supplier:APIchem SMILES:C1(O[C@H](CO1)CN)(C)C ChemMol.com FORMULA: C6H13NO2
MASS: 131.1729
EXACT MASS: 131.0946287
INTERATOMIC DISTANCES
C 1 O 2 O 3 C 4 C 5 N 6
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C 1 0.0000
O 2 0.7453 0.0000
O 3 0.7504 1.2104 0.0000
C 4 1.2125 0.7504 1.2135 0.0000
C 5 1.2189 1.2186 0.7526 0.7552 0.0000
N 6 2.2886 1.5642 2.4918 1.2917 2.0037 0.0000
C 7 0.7527 1.4664 1.1131 1.9544 1.8073 3.0281
C 8 0.7496 1.1126 1.4665 1.8035 1.9589 2.6127
C 9 1.9402 1.3394 1.9409 0.7504 1.3390 0.7432
C 7 C 8 C 9
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C 7 0.0000
C 8 0.7535 0.0000
C 9 2.6904 2.4513 0.0000
ATOMIC CHARGES
C 1 0.1874455072
O 2 -0.3326838683
O 3 -0.3316775332
C 4 0.1661007776
C 5 0.1756053648
N 6 -0.1286281018
C 7 0.0612232190
C 8 0.0612232190
C 9 0.1413914155
BOND ANGLES
9 4 2 C3 C3 O3 126.355
4 2 1 C3 O3 C3 108.313
5 4 2 C3 C3 O3 108.071
4 2 1 C3 O3 C3 108.313
2 4 9 O3 C3 C3 126.355
5 4 9 C3 C3 C3 125.574
2 4 5 O3 C3 C3 108.071
4 5 3 C3 C3 O3 107.190
9 4 5 C3 C3 C3 125.574
4 5 3 C3 C3 O3 107.190
TORSION ANGLES
4 2 1 3 0.026
4 2 1 7 179.974
4 2 1 8 179.974
5 3 1 2 0.026
5 3 1 7 179.974
5 3 1 8 179.974
9 4 2 1 179.974
5 4 2 1 0.026
4 5 3 1 0.026
2 4 9 6 0.026
5 4 9 6 179.974
2 4 5 3 0.026
9 4 5 3 179.974
CHIRAL ATOMS
C 1 is chiral: counterclockwise
C 4 is chiral: counterclockwise
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