
 CID 28560001

 33 33  0  0  0  0  0  0  0  0999 V2000
   -0.2542   -0.6042   -4.5877 C   0  0  0  0  0
    1.0091   -1.1834   -4.6915 C   0  0  0  0  0
    2.0044   -0.8608   -3.7686 C   0  0  0  0  0
    1.7445    0.0436   -2.7289 C   0  0  0  0  0
    0.4699    0.6180   -2.6346 C   0  0  0  0  0
   -0.5234    0.2965   -3.5601 C   0  0  0  0  0
    2.8367    0.4526   -1.7754 C   0  0  0  0  0
    3.3989   -0.6825   -0.9236 C   0  0  0  0  0
    4.7013   -0.0888    0.1578 P   0  0  0  0  0
    5.5804    0.9561   -0.5042 O   0  0  0  0  0
    3.8525    0.8118    1.4955 C   0  0  0  0  0
    4.7881    1.0630    2.6871 C   0  0  0  0  0
    6.1468    1.6785    2.3398 C   0  0  0  0  0
    6.9636    0.8043    1.4900 N   0  0  0  0  0
    6.6541   -0.2041    1.5091 H   0  0  0  0  0
    6.6865    1.0049    0.4866 H   0  0  0  0  0
    7.9759    0.8675    1.5311 H   0  0  0  0  0
    5.4779   -1.1772    0.8701 O   0  0  0  0  0
   -1.0238   -0.8470   -5.3151 H   0  0  0  0  0
    1.2248   -1.8798   -5.4980 H   0  0  0  0  0
    2.9922   -1.3043   -3.8748 H   0  0  0  0  0
    0.2466    1.3347   -1.8474 H   0  0  0  0  0
   -1.5046    0.7560   -3.4843 H   0  0  0  0  0
    2.4702    1.2424   -1.1093 H   0  0  0  0  0
    3.6426    0.9128   -2.3602 H   0  0  0  0  0
    3.8228   -1.4661   -1.5633 H   0  0  0  0  0
    2.6063   -1.1489   -0.3281 H   0  0  0  0  0
    2.9885    0.2257    1.8298 H   0  0  0  0  0
    3.4774    1.7622    1.1004 H   0  0  0  0  0
    4.9578    0.1128    3.2098 H   0  0  0  0  0
    4.2725    1.7189    3.3991 H   0  0  0  0  0
    6.7243    1.8462    3.2550 H   0  0  0  0  0
    6.0376    2.6342    1.8179 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 18  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
M  CHG  2  14   1  18  -1
M  END

>  <Chemical Name>
CID 28560001

>  <PubChem CID>
28560001

>  <Formula>
C11H18NO2P

>  <Molecular Weight>
227.244000

>  <IUPAC Name>
3-azaniumylpropyl(2-phenylethyl)phosphinate

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CCP(=O)(CCC[NH3+])[O-]

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCP(=O)(CCC[NH3+])[O-]

>  <InChI Std. ID>
InChI=1S/C11H18NO2P/c12-8-4-9-15(13,14)10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2,(H,13,14)

>  <InChI Key>
APWTWYYAXGNAQG-UHFFFAOYSA-N

