Sign In Join Free

Products Information

(R)-3-Aminomethyl-morpholine-4-carboxylic acid tert-butyl ester
(R)-3-Aminomethyl-morpholine-4-carboxylic acid tert-butyl ester ID: B204124
CAS:N/A
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:N1([C@@H](COCC1)CN)C(=O)OC(C)(C)C	
FORMULA: C10H20N2O3
MASS: 216.2774
EXACT MASS: 216.1473925
INTERATOMIC DISTANCES

              N   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1634     1.2471     0.0000 
   O   4    2.4978     2.1625     1.2507     0.0000 
   C   5    2.1625     2.4978     2.1654     1.2500     0.0000 
   C   6    1.2471     2.1634     2.5000     2.1654     1.2507     0.0000 
   C   7    1.2507     2.1654     3.3055     3.7484     3.3054     2.1625 
   O   8    2.1654     3.3074     4.3288     4.5056     3.7484     2.4978 
   O   9    2.1666     2.5013     3.7484     4.5060     4.3291     3.3054 
   C  10    2.1654     1.2507     2.1625     3.3054     3.7484     3.3055 
   N  11    2.5013     2.1666     3.3054     4.3291     4.5060     3.7484 
   C  12    3.3096     3.7521     4.9992     5.7281     5.4485     4.3292 
   C  13    3.7521     4.5087     5.7275     6.2499     5.7281     4.5060 
   C  14    4.5100     5.0027     6.2499     6.9603     6.6150     5.4485 
   C  15    4.3333     4.5100     5.7281     6.6150     6.4958     5.4485 

              C   7      O   8      O   9      C  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.2500     0.0000 
   O   9    1.2507     2.1654     0.0000 
   C  10    2.5000     3.7500     2.1654     0.0000 
   N  11    2.1654     3.3074     1.2500     1.2507     0.0000 
   C  12    2.1667     2.5014     1.2508     3.3083     2.1655     0.0000 
   C  13    2.5014     2.1667     2.1655     4.3309     3.3075     1.2500 
   C  14    3.3096     3.3096     2.5014     4.5087     3.3083     1.2507 
   C  15    3.3096     3.7521     2.1667     3.7521     2.5014     1.2507 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.2507     0.0000 
   C  15    2.1654     1.2500     0.0000 



ATOMIC CHARGES
   N   1   -0.2411106898
   C   2    0.1271302927
   C   3    0.1635124005
   O   4   -0.3501390151
   C   5    0.1637634760
   C   6    0.1287929137
   C   7    0.4047812363
   O   8   -0.2261950793
   O   9   -0.4417868440
   C  10    0.1316741176
   N  11   -0.1294772789
   C  12    0.1378299142
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.0437415187


BOND ANGLES
   2    1    6   C3  Nam   C3    120.077
   2    1    7   C3  Nam   C2    119.982
   6    1    7   C3  Nam   C2    119.941
   1    2    3  Nam   C3   C3    120.077
   1    2   10  Nam   C3   C3    119.982
   3    2   10   C3   C3   C3    119.941
   2    3    4   C3   C3   O3    119.941
   3    4    5   C3   O3   C3    119.982
   4    5    6   O3   C3   C3    119.982
   1    6    5  Nam   C3   C3    119.941
   8    7    9   O2   C2   O3    119.982
   1    7    8  Nam   C2   O2    119.982
   1    7    9  Nam   C2   O3    120.035
   7    9   12   C2   O3   C3    120.037
   2   10   11   C3   C3   N3    120.035
  13   12   15   C3   C3   C3    119.982
  13   12   14   C3   C3   C3     60.018
   9   12   13   O3   C3   C3    119.980
  14   12   15   C3   C3   C3     59.965
   9   12   15   O3   C3   C3    120.037
   9   12   14   O3   C3   C3    179.974


TORSION ANGLES
   6    1    2    3      0.026
   6    1    2   10    179.974
   7    1    2    3    179.974
   7    1    2   10      0.026
   1    2    3    4      0.026
  10    2    3    4    179.974
   2    3    4    5      0.026
   3    4    5    6      0.026
   4    5    6    1      0.026
   2    1    6    5      0.026
   7    1    6    5    179.974
   8    7    9   12      0.026
   1    7    9   12    179.974
   2    1    7    8    179.974
   2    1    7    9      0.026
   6    1    7    8      0.026
   6    1    7    9    179.974
   1    2   10   11      0.026
   3    2   10   11    179.974
   7    9   12   13      0.026
   7    9   12   15    179.974
   7    9   12   14      0.026


CHIRAL ATOMS
   7    9   12   14      0.026