
 Cgp-36742

 29 28  0  0  0  0  0  0  0  0999 V2000
    6.1984   -1.9289    0.5983 C   0  0  0  0  0
    5.0944   -1.0246    0.0713 C   0  0  0  0  0
    5.3569    0.4389    0.4205 C   0  0  0  0  0
    4.2527    1.3518   -0.1033 C   0  0  0  0  0
    4.4760    3.0892    0.2541 P   0  0  0  0  0
    3.4511    3.9928   -0.3651 O   0  0  0  0  0
    4.7305    3.3274    2.0009 C   0  0  0  0  0
    3.6229    2.8503    2.9323 C   0  0  0  0  0
    2.3268    3.6549    2.8477 C   0  0  0  0  0
    1.5761    3.3608    1.6354 N   0  0  0  0  0
    5.9236    3.4248   -0.3802 O   0  0  0  0  0
    5.9824   -2.9734    0.3532 H   0  0  0  0  0
    6.2878   -1.8463    1.6858 H   0  0  0  0  0
    7.1638   -1.6679    0.1531 H   0  0  0  0  0
    4.1360   -1.3427    0.4981 H   0  0  0  0  0
    5.0208   -1.1426   -1.0161 H   0  0  0  0  0
    6.3201    0.7541    0.0030 H   0  0  0  0  0
    5.4361    0.5461    1.5079 H   0  0  0  0  0
    3.2895    1.0362    0.3114 H   0  0  0  0  0
    4.1793    1.2413   -1.1908 H   0  0  0  0  0
    4.9229    4.3917    2.1794 H   0  0  0  0  0
    5.6527    2.8047    2.2794 H   0  0  0  0  0
    3.9947    2.9217    3.9620 H   0  0  0  0  0
    3.4148    1.7893    2.7516 H   0  0  0  0  0
    2.5305    4.7295    2.9147 H   0  0  0  0  0
    1.6978    3.3911    3.7062 H   0  0  0  0  0
    2.0464    3.7875    0.8214 H   0  0  0  0  0
    0.6787    3.8451    1.6736 H   0  0  0  0  0
    5.8803    3.6028   -1.3407 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5 11  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
M  END

>  <Chemical Name>
Cgp-36742

>  <PubChem CID>
130021

>  <Formula>
C7H18NO2P

>  <Molecular Weight>
179.200000

>  <IUPAC Name>
3-aminopropyl(butyl)phosphinic acid

>  <XlogP>
-2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCP(=O)(CCCN)O

>  <Isomeric SMILES>
CCCCP(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)

>  <InChI Key>
ONNMDRQRSGKZCN-UHFFFAOYSA-N

