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2-(Fmoc-amino)ethanol |
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ID: API-28862 CAS:105496-31-9 Supplier:APIchem SMILES:OCCNC(=O)OCC1c2ccccc2c2ccccc12 ChemMol.com FORMULA: C17H17NO3
MASS: 283.3218
EXACT MASS: 283.1208434
INTERATOMIC DISTANCES
O 1 C 2 C 3 N 4 C 5 O 6
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O 1 0.0000
C 2 0.8250 0.0000
C 3 1.4289 0.8249 0.0000
N 4 2.1827 1.4289 0.8250 0.0000
C 5 2.8579 2.1827 1.4290 0.8250 0.0000
O 6 2.9746 2.4750 1.6501 1.4290 0.8250 0.0000
O 7 3.5960 2.8578 2.1827 1.4289 0.8249 1.4289
C 8 4.2868 3.5960 2.8579 2.1827 1.4289 1.6500
C 9 5.0183 4.2868 3.5961 2.8579 2.1827 2.4750
C 10 5.7555 5.0517 4.3268 3.6271 2.8981 3.0343
C 11 6.0514 5.4126 4.6353 4.0255 3.2305 3.1542
C 12 6.8734 6.2376 5.4593 4.8487 4.0554 3.9594
C 13 7.3737 6.6889 5.9460 5.2694 4.5188 4.5455
C 14 7.1329 6.4004 5.7087 4.9717 4.2876 4.4631
C 15 6.3446 5.5994 4.9267 4.1728 3.5174 3.7672
C 16 6.0595 5.2741 4.6813 3.8801 3.3457 3.7672
C 17 6.5274 5.7179 5.2034 4.3823 3.9530 4.4630
C 18 6.2596 5.4363 5.0228 4.2001 3.9188 4.5455
C 19 5.4652 4.6404 4.2685 3.4536 3.2642 3.9593
C 20 4.8968 4.0811 3.6137 2.7888 2.4945 3.1542
C 21 5.2348 4.4493 3.8608 3.0563 2.5478 3.0342
O 7 C 8 C 9 C 10 C 11 C 12
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O 7 0.0000
C 8 0.8250 0.0000
C 9 1.4290 0.8250 0.0000
C 10 2.2083 1.4702 0.8250 0.0000
C 11 2.6827 1.8628 1.5074 0.8251 0.0000
C 12 3.4923 2.6785 2.2282 1.4290 0.8250 0.0000
C 13 3.8568 3.0936 2.4629 1.6500 1.4289 0.8250
C 14 3.5433 2.8744 2.1154 1.4289 1.6500 1.4289
C 15 2.7487 2.1348 1.3349 0.8249 1.4289 1.6500
C 16 2.5252 2.1348 1.3349 1.3348 2.1154 2.4629
C 17 3.1301 2.8743 2.1153 2.1486 2.9002 3.1401
C 18 3.1324 3.0935 2.4629 2.7298 3.5341 3.8781
C 19 2.5306 2.6785 2.2282 2.7298 3.5542 4.0529
C 20 1.7271 1.8628 1.5074 2.1487 2.9489 3.5542
C 21 1.7231 1.4702 0.8250 1.3349 2.1488 2.7299
C 13 C 14 C 15 C 16 C 17 C 18
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C 13 0.0000
C 14 0.8250 0.0000
C 15 1.4289 0.8250 0.0000
C 16 2.2282 1.5074 0.8250 0.0000
C 17 2.7414 1.9291 1.5074 0.8250 0.0000
C 18 3.5430 2.7414 2.2282 1.4289 0.8250 0.0000
C 19 3.8782 3.1401 2.4630 1.6500 1.4289 0.8250
C 20 3.5341 2.9002 2.1154 1.4289 1.6499 1.4289
C 21 2.7299 2.1488 1.3349 0.8250 1.4289 1.6500
C 19 C 20 C 21
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C 19 0.0000
C 20 0.8250 0.0000
C 21 1.4289 0.8250 0.0000
ATOMIC CHARGES
O 1 -0.2184354322
C 2 0.2055362536
C 3 0.1541043630
N 4 -0.1659223263
C 5 0.4212190855
O 6 -0.2245625174
O 7 -0.4328244140
C 8 0.2187326987
C 9 0.0883906204
C 10 -0.0148013613
C 11 -0.0038379889
C 12 -0.0003110332
C 13 -0.0000197602
C 14 -0.0003110332
C 15 -0.0038379889
C 16 -0.0038379889
C 17 -0.0003110332
C 18 -0.0000197602
C 19 -0.0003110332
C 20 -0.0038379889
C 21 -0.0148013613
BOND ANGLES
7 5 6 O3 C2 O2 120.002
6 5 7 O2 C2 O3 120.002
5 7 8 C2 O3 C3 119.999
21 9 10 Car C3 Car 107.998
9 10 11 C3 Car Car 131.991
9 10 15 C3 Car Car 108.007
15 10 11 Car Car Car 120.002
10 11 12 Car Car Car 119.993
11 10 15 Car Car Car 120.002
10 15 16 Car Car Car 107.998
21 16 17 Car Car Car 119.996
16 17 18 Car Car Car 120.004
10 9 21 Car C3 Car 107.998
17 16 21 Car Car Car 119.996
TORSION ANGLES
1 2 3 4 179.974
2 3 4 5 179.974
3 4 5 6 0.026
3 4 5 7 179.974
4 5 7 8 179.974
6 5 7 8 0.026
5 7 8 9 179.974
7 8 9 10 179.974
7 8 9 21 0.026
8 9 10 11 0.026
8 9 10 15 179.974
21 9 10 11 179.974
21 9 10 15 0.026
9 10 11 12 179.974
15 10 11 12 0.026
10 11 12 13 0.026
11 12 13 14 0.026
12 13 14 15 0.026
13 14 15 10 0.026
13 14 15 16 179.974
9 10 15 14 179.974
9 10 15 16 0.026
11 10 15 14 0.026
11 10 15 16 179.974
14 15 16 17 0.026
14 15 16 21 179.974
10 15 16 17 179.974
10 15 16 21 0.026
15 16 17 18 179.974
21 16 17 18 0.026
16 17 18 19 0.026
17 18 19 20 0.026
18 19 20 21 0.026
19 20 21 9 179.974
19 20 21 16 0.026
8 9 21 20 0.026
8 9 21 16 179.974
10 9 21 20 179.974
10 9 21 16 0.026
15 16 21 20 179.974
15 16 21 9 0.026
17 16 21 20 0.026
17 16 21 9 179.974
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