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3-(1H-pyrazol-1-yl)propan-1-amine
3-(1H-pyrazol-1-yl)propan-1-amine
ID: BP-11223
CAS:75653-86-0
Supplier:BroadPharm

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SMILES:n1n(ccc1)CCCN	
FORMULA: C6H11N3
MASS: 125.1716
EXACT MASS: 125.0952974
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2534     0.0000 
   C   3    2.0218     2.0274     0.0000 
   C   4    2.0197     1.2518     1.2478     0.0000 
   C   5    1.2487     2.0298     1.2543     2.0237     0.0000 
   C   6    2.2316     1.2471     3.2361     2.2283     3.2392     0.0000 
   N   7    4.6331     4.3250     6.3223     5.4940     5.8800     3.3054 
   C   8    2.6157     2.1625     4.1671     3.3465     3.8303     1.2507 
   C   9    3.8625     3.3014     5.3286     4.3892     5.0706     2.1625 

              N   7      C   8      C   9
              ---------------------------------
   N   7    0.0000 
   C   8    2.1625     0.0000 
   C   9    1.2507     1.2471     0.0000 



ATOMIC CHARGES
   N   1   -0.1676585676
   N   2   -0.2493669291
   C   3    0.0426777231
   C   4    0.0966978083
   C   5    0.1217228799
   C   6    0.1290405058
   N   7   -0.1313183391
   C   8    0.0468371308
   C   9    0.1113677878


BOND ANGLES
   2    1    5  Nar  Nar  Car    108.433
   1    2    4  Nar  Nar  Car    107.453
   1    2    6  Nar  Nar   C3    126.375
   4    2    6  Car  Nar   C3    126.172
   4    3    5  Car  Car  Car    107.956
   2    4    3  Nar  Car  Car    108.406
   1    5    3  Nar  Car  Car    107.751
   2    6    8  Nar   C3   C3    119.941
   6    8    9   C3   C3   C3    119.941
   7    9    8   N3   C3   C3    119.941


TORSION ANGLES
   4    2    1    5      0.026
   6    2    1    5    179.974
   4    3    5    1      0.026
   3    4    2    1      0.026
   3    4    2    6    179.974
   3    5    1    2      0.026
   8    6    2    1      0.026
   8    6    2    4    179.974
   9    8    6    2    179.974
   7    9    8    6    179.974
   5    3    4    2      0.026